-ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 1.6500 -0.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4833 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 0.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2125 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 12 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 13 1 0 0 0 0 13 1 1 0 0 0 0 14 5 1 0 0 0 0 15 4 2 0 0 0 0 16 3 2 0 0 0 0 17 12 2 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 7 1 0 0 0 0 21 9 1 0 0 0 0 22 10 2 0 0 0 0 23 11 2 0 0 0 0 24 13 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 30 25 1 0 0 0 0 11 10 1 0 0 0 0 28 29 2 0 0 0 0 7 9 2 0 0 0 0 26 27 1 0 0 0 0 M END > (P0103970109) P0103970109 > (P0103970109) 1 > (P0103970109) 5 > (P0103970109) 6 > (P0103970109) 3.400000000000000e+000 > (P0103970109) 4 > (P0103970109) 1.210000000000000e+002 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 1.4750 1.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0042 1.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0042 0.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 1.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 3.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.2917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 9 2 0 0 0 0 22 18 1 0 0 0 0 23 13 2 0 0 0 0 24 13 1 0 0 0 0 25 14 2 0 0 0 0 26 22 1 0 0 0 0 27 21 1 0 0 0 0 28 24 2 0 0 0 0 29 23 1 0 0 0 0 30 27 2 0 0 0 0 31 28 1 0 0 0 0 3 2 1 0 0 0 0 7 6 1 0 0 0 0 25 30 1 0 0 0 0 20 18 2 0 0 0 0 29 31 2 0 0 0 0 M END > (P0104230283) P0104230283 > (P0104230283) 0 > (P0104230283) 5 > (P0104230283) 4 > (P0104230283) 4.500000000000000e+000 > (P0104230283) 5 > (P0104230283) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 1.4750 1.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 1.8208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.8583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 1.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9208 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.5708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4375 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 19 2 0 0 0 0 18 15 2 0 0 0 0 19 16 1 0 0 0 0 20 14 1 0 0 0 0 21 9 1 0 0 0 0 22 17 1 0 0 0 0 23 13 1 0 0 0 0 24 13 2 0 0 0 0 25 14 1 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 21 2 0 0 0 0 29 23 2 0 0 0 0 30 28 1 0 0 0 0 31 24 1 0 0 0 0 32 31 2 0 0 0 0 3 2 1 0 0 0 0 7 6 1 0 0 0 0 25 30 2 0 0 0 0 18 17 1 0 0 0 0 29 32 1 0 0 0 0 M END > (P0104230284) P0104230284 > (P0104230284) 0 > (P0104230284) 6 > (P0104230284) 5 > (P0104230284) 3.900000000000000e+000 > (P0104230284) 5 > (P0104230284) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 1.1542 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4042 -0.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 -1.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 1.1708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3625 0.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 0.8125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 9 2 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 10 1 0 0 0 0 22 10 2 0 0 0 0 23 18 2 0 0 0 0 24 19 2 0 0 0 0 25 21 2 0 0 0 0 26 22 1 0 0 0 0 27 20 1 0 0 0 0 28 27 2 0 0 0 0 29 26 2 0 0 0 0 7 6 1 0 0 0 0 5 3 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 15 23 1 0 0 0 0 M END > (P0104720009) P0104720009 > (P0104720009) 0 > (P0104720009) 4 > (P0104720009) 3 > (P0104720009) 4.600000000000000e+000 > (P0104720009) 5 > (P0104720009) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.7583 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 0.4208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3333 -0.6875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3333 1.6208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.2333 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -2.3792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 9 1 0 0 0 0 16 11 2 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 22 1 0 0 0 0 22 20 2 0 0 0 0 23 19 1 0 0 0 0 24 21 1 0 0 0 0 25 24 1 0 0 0 0 9 5 1 0 0 0 0 6 8 1 0 0 0 0 21 23 2 0 0 0 0 M END > (P0104810004) P0104810004 > (P0104810004) 0 > (P0104810004) 5 > (P0104810004) 4 > (P0104810004) 2.000000000000000e+000 > (P0104810004) 3 > (P0104810004) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 1.1417 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -0.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -3.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 4 1 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 5 2 0 0 0 0 17 9 2 0 0 0 0 18 15 1 0 0 0 0 19 12 1 0 0 0 0 20 18 1 0 0 0 0 21 16 1 0 0 0 0 22 21 2 0 0 0 0 11 8 1 0 0 0 0 17 22 1 0 0 0 0 M END > (P0105850182) P0105850182 > (P0105850182) 1 > (P0105850182) 3 > (P0105850182) 5 > (P0105850182) 4.300000000000000e+000 > (P0105850182) 2 > (P0105850182) 4.759999999999999e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 2.0167 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.1292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -3.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 1 2 0 0 0 0 10 5 2 0 0 0 0 11 7 2 0 0 0 0 12 8 1 0 0 0 0 13 12 2 0 0 0 0 14 5 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 18 3 2 0 0 0 0 19 6 2 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 23 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 13 10 1 0 0 0 0 22 18 1 0 0 0 0 M END > (P0105850385) P0105850385 > (P0105850385) 1 > (P0105850385) 4 > (P0105850385) 6 > (P0105850385) 4.100000000000000e+000 > (P0105850385) 2 > (P0105850385) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 5.5667 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -4.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -2.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -4.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 0 0 0 0 9 1 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 3 2 0 0 0 0 13 5 1 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 17 6 2 0 0 0 0 18 5 2 0 0 0 0 19 9 1 0 0 0 0 20 10 2 0 0 0 0 21 13 2 0 0 0 0 22 15 1 0 0 0 0 23 25 2 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 26 24 2 0 0 0 0 7 4 1 0 0 0 0 21 26 1 0 0 0 0 23 17 1 0 0 0 0 M END > (P0105850412) P0105850412 > (P0105850412) 1 > (P0105850412) 4 > (P0105850412) 5 > (P0105850412) 3.700000000000000e+000 > (P0105850412) 3 > (P0105850412) 8.140000000000001e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 -2.7625 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -3.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -1.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7458 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9458 -3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 5 2 0 0 0 0 15 7 1 0 0 0 0 16 10 1 0 0 0 0 17 11 2 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 14 1 0 0 0 0 21 19 2 0 0 0 0 22 18 1 0 0 0 0 23 20 2 0 0 0 0 24 21 1 0 0 0 0 6 3 1 0 0 0 0 23 17 1 0 0 0 0 24 22 2 0 0 0 0 M END > (P0105850472) P0105850472 > (P0105850472) 1 > (P0105850472) 2 > (P0105850472) 4 > (P0105850472) 4.200000000000000e+000 > (P0105850472) 3 > (P0105850472) 5.509999999999999e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 -0.7000 0.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7000 1.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8500 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2333 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -0.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6625 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 0.4708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 5 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 9 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 23 1 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 21 1 0 0 0 0 25 9 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 25 2 0 0 0 0 29 28 1 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 18 17 2 0 0 0 0 21 22 2 0 0 0 0 27 29 2 0 0 0 0 M END > (P0107000028) P0107000028 > (P0107000028) 0 > (P0107000028) 4 > (P0107000028) 3 > (P0107000028) 4.400000000000000e+000 > (P0107000028) 5 > (P0107000028) 6.300000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.5958 1.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4458 0.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7792 1.0583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1750 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.5833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4708 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -2.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 22 1 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 23 12 2 0 0 0 0 24 12 1 0 0 0 0 25 13 2 0 0 0 0 26 13 1 0 0 0 0 27 20 1 0 0 0 0 28 24 2 0 0 0 0 29 23 1 0 0 0 0 30 28 1 0 0 0 0 8 6 1 0 0 0 0 5 3 1 0 0 0 0 18 17 2 0 0 0 0 21 14 2 0 0 0 0 29 30 2 0 0 0 0 M END > (P0107050046) P0107050046 > (P0107050046) 0 > (P0107050046) 6 > (P0107050046) 4 > (P0107050046) 2.700000000000000e+000 > (P0107050046) 5 > (P0107050046) 7.200000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.5958 1.2083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4458 0.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7792 0.9833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1750 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4708 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -2.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 20 1 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 18 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 10 2 0 0 0 0 21 17 1 0 0 0 0 22 10 1 0 0 0 0 23 27 1 0 0 0 0 24 13 1 0 0 0 0 25 13 2 0 0 0 0 26 21 1 0 0 0 0 27 22 2 0 0 0 0 28 24 2 0 0 0 0 29 25 1 0 0 0 0 30 29 2 0 0 0 0 6 8 1 0 0 0 0 3 5 1 0 0 0 0 17 19 2 0 0 0 0 30 28 1 0 0 0 0 23 14 2 0 0 0 0 M END > (P0107050047) P0107050047 > (P0107050047) 0 > (P0107050047) 6 > (P0107050047) 4 > (P0107050047) 2.700000000000000e+000 > (P0107050047) 5 > (P0107050047) 7.200000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.6500 1.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4833 0.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0292 1.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2000 0.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2792 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 2.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 5 2 0 0 0 0 13 8 1 0 0 0 0 14 9 2 0 0 0 0 15 24 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 22 9 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 25 13 1 0 0 0 0 26 13 2 0 0 0 0 27 14 1 0 0 0 0 28 14 1 0 0 0 0 29 22 2 0 0 0 0 30 29 1 0 0 0 0 4 8 1 0 0 0 0 6 3 1 0 0 0 0 20 18 2 0 0 0 0 15 23 1 0 0 0 0 28 30 2 0 0 0 0 M END > (P0107050071) P0107050071 > (P0107050071) 0 > (P0107050071) 5 > (P0107050071) 3 > (P0107050071) 3.400000000000000e+000 > (P0107050071) 5 > (P0107050071) 6.270000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 0.0792 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -1.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 3.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 10 1 0 0 0 0 15 8 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 17 1 0 0 0 0 19 5 1 0 0 0 0 20 13 1 0 0 0 0 21 6 1 0 0 0 0 22 16 1 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 25 19 1 0 0 0 0 26 25 1 0 0 0 0 6 4 1 0 0 0 0 9 14 2 0 0 0 0 21 26 1 0 0 0 0 13 16 1 0 0 0 0 M END > (P0107070131) P0107070131 > (P0107070131) 1 > (P0107070131) 5 > (P0107070131) 4 > (P0107070131) 3.800000000000000e+000 > (P0107070131) 4 > (P0107070131) 1.016000000000000e+002 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 -1.0625 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0625 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 1.9333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7667 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -3.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 1.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7542 3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 19 1 0 0 0 0 14 6 1 0 0 0 0 15 6 2 0 0 0 0 16 9 1 0 0 0 0 17 11 2 0 0 0 0 18 12 2 0 0 0 0 19 16 2 0 0 0 0 20 12 1 0 0 0 0 21 11 1 0 0 0 0 22 5 1 0 0 0 0 23 4 1 0 0 0 0 24 13 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 24 1 0 0 0 0 5 2 2 0 0 0 0 7 13 2 0 0 0 0 M CHG 2 6 1 14 -1 M END > (P0107320522) P0107320522 > (P0107320522) 1 > (P0107320522) 8 > (P0107320522) 7 > (P0107320522) 1.700000000000000e+000 > (P0107320522) 2 > (P0107320522) 1.197000000000000e+002 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 1.7000 0.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1208 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0042 1.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 0.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0500 1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 6 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 10 1 0 0 0 0 19 12 2 0 0 0 0 20 12 1 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 20 2 0 0 0 0 24 19 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 23 1 0 0 0 0 28 25 1 0 0 0 0 2 3 1 0 0 0 0 7 5 1 0 0 0 0 28 26 2 0 0 0 0 16 17 2 0 0 0 0 24 27 2 0 0 0 0 M END > (P0107490031) P0107490031 > (P0107490031) 0 > (P0107490031) 4 > (P0107490031) 4 > (P0107490031) 3.200000000000000e+000 > (P0107490031) 5 > (P0107490031) 6.300000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.7208 0.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7208 1.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8042 0.7458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2042 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6708 -0.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6708 1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7208 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 6 1 0 0 0 0 15 9 2 0 0 0 0 16 11 1 0 0 0 0 17 15 1 0 0 0 0 18 10 1 0 0 0 0 19 10 2 0 0 0 0 20 21 2 0 0 0 0 21 19 1 0 0 0 0 22 18 2 0 0 0 0 23 20 1 0 0 0 0 24 14 2 0 0 0 0 25 14 1 0 0 0 0 26 23 1 0 0 0 0 27 26 1 0 0 0 0 28 25 2 0 0 0 0 29 24 1 0 0 0 0 30 28 1 0 0 0 0 6 8 1 0 0 0 0 4 3 1 0 0 0 0 16 17 2 0 0 0 0 22 20 1 0 0 0 0 30 29 2 0 0 0 0 M END > (P0107490065) P0107490065 > (P0107490065) 0 > (P0107490065) 5 > (P0107490065) 5 > (P0107490065) 4.100000000000000e+000 > (P0107490065) 5 > (P0107490065) 8.729999999999998e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 2.1000 0.7833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 0.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 1.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.7833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4625 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 0.6333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 10 1 0 0 0 0 19 10 2 0 0 0 0 20 23 2 0 0 0 0 21 11 1 0 0 0 0 22 18 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 21 2 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 3 2 1 0 0 0 0 5 7 1 0 0 0 0 28 29 2 0 0 0 0 17 16 2 0 0 0 0 22 20 1 0 0 0 0 M END > (P0107490071) P0107490071 > (P0107490071) 0 > (P0107490071) 4 > (P0107490071) 4 > (P0107490071) 3.900000000000000e+000 > (P0107490071) 5 > (P0107490071) 6.300000000000000e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 -0.9625 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 0.7708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.4833 0.4958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.4833 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 9 1 0 0 0 0 16 14 2 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 11 2 0 0 0 0 20 21 2 0 0 0 0 21 19 1 0 0 0 0 22 14 1 0 0 0 0 23 20 1 0 0 0 0 5 9 1 0 0 0 0 8 6 1 0 0 0 0 16 20 1 0 0 0 0 M END > (P0107770031) P0107770031 > (P0107770031) 0 > (P0107770031) 3 > (P0107770031) 2 > (P0107770031) 3.300000000000000e+000 > (P0107770031) 3 > (P0107770031) 5.840000000000000e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 -3.2500 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -0.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 0.7958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8500 0.4458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4000 2.1708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.1208 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.7958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0125 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -0.0667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9292 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -1.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 13 1 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 17 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 8 2 0 0 0 0 17 15 1 0 0 0 0 18 10 1 0 0 0 0 19 10 2 0 0 0 0 20 9 1 0 0 0 0 21 12 2 0 0 0 0 22 4 1 0 0 0 0 23 6 1 0 0 0 0 24 26 2 0 0 0 0 25 15 2 0 0 0 0 26 25 1 0 0 0 0 5 9 1 0 0 0 0 8 6 1 0 0 0 0 13 24 1 0 0 0 0 M CHG 2 10 1 18 -1 M END > (P0107770043) P0107770043 > (P0107770043) 0 > (P0107770043) 6 > (P0107770043) 4 > (P0107770043) 1.900000000000000e+000 > (P0107770043) 3 > (P0107770043) 1.213000000000000e+002 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 1.4292 -1.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0125 -0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0125 -1.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -1.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4125 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 3.4208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3333 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 9 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 19 1 0 0 0 0 18 10 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 9 2 0 0 0 0 23 14 1 0 0 0 0 24 14 2 0 0 0 0 25 18 1 0 0 0 0 26 18 2 0 0 0 0 27 22 1 0 0 0 0 28 27 2 0 0 0 0 29 25 2 0 0 0 0 30 26 1 0 0 0 0 31 30 2 0 0 0 0 3 2 1 0 0 0 0 5 8 1 0 0 0 0 31 29 1 0 0 0 0 17 20 2 0 0 0 0 24 28 1 0 0 0 0 M END > (P0107780080) P0107780080 > (P0107780080) 0 > (P0107780080) 4 > (P0107780080) 4 > (P0107780080) 4.600000000000000e+000 > (P0107780080) 5 > (P0107780080) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.2375 -1.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1708 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -1.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4000 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -2.8875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6000 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -1.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0375 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 9 13 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 1 1 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 4 2 0 0 0 0 17 3 2 0 0 0 0 18 7 1 0 0 0 0 19 9 2 0 0 0 0 20 14 2 0 0 0 0 21 13 1 0 0 0 0 22 14 1 0 0 0 0 23 15 1 0 0 0 0 24 18 1 0 0 0 0 25 11 1 0 0 0 0 26 12 1 0 0 0 0 27 21 1 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 24 1 0 0 0 0 31 26 2 0 0 0 0 32 25 2 0 0 0 0 33 29 1 0 0 0 0 11 12 2 0 0 0 0 32 31 1 0 0 0 0 7 6 2 0 0 0 0 23 24 1 0 0 0 0 M END > (P0107930442) P0107930442 > (P0107930442) 1 > (P0107930442) 5 > (P0107930442) 7 > (P0107930442) 4.500000000000000e+000 > (P0107930442) 4 > (P0107930442) 1.210000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 4.4750 -2.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -2.3625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -2.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9917 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -3.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8000 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7750 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 9 13 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 1 1 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 4 2 0 0 0 0 17 3 2 0 0 0 0 18 7 1 0 0 0 0 19 9 2 0 0 0 0 20 14 2 0 0 0 0 21 13 1 0 0 0 0 22 14 1 0 0 0 0 23 15 1 0 0 0 0 24 18 1 0 0 0 0 25 11 1 0 0 0 0 26 12 1 0 0 0 0 27 21 1 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 24 1 0 0 0 0 31 26 2 0 0 0 0 32 25 2 0 0 0 0 12 11 2 0 0 0 0 31 32 1 0 0 0 0 6 7 2 0 0 0 0 24 23 1 0 0 0 0 M END > (P0108420245) P0108420245 > (P0108420245) 1 > (P0108420245) 5 > (P0108420245) 6 > (P0108420245) 4.100000000000000e+000 > (P0108420245) 4 > (P0108420245) 1.210000000000000e+002 $$$$ -ISIS- 08092202382D 32 34 0 0 0 0 0 0 0 0999 V2000 3.4375 -0.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3500 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4375 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -0.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1542 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 8 2 0 0 0 0 15 7 2 0 0 0 0 16 2 2 0 0 0 0 17 3 2 0 0 0 0 18 4 2 0 0 0 0 19 13 2 0 0 0 0 20 11 2 0 0 0 0 21 12 2 0 0 0 0 22 9 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 6 1 0 0 0 0 26 5 1 0 0 0 0 27 22 1 0 0 0 0 28 22 1 0 0 0 0 29 24 1 0 0 0 0 30 23 1 0 0 0 0 31 26 2 0 0 0 0 32 25 2 0 0 0 0 6 5 2 0 0 0 0 32 31 1 0 0 0 0 19 15 1 0 0 0 0 M END > (P0109370543) P0109370543 > (P0109370543) 1 > (P0109370543) 7 > (P0109370543) 8 > (P0109370543) 2.500000000000000e+000 > (P0109370543) 3 > (P0109370543) 1.191000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.2542 1.3833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3000 1.4083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0208 0.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 0.5250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8000 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2625 1.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.1583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7208 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.8042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.2833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 0.0333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 12 2 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 16 6 1 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 19 23 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 11 1 0 0 0 0 23 18 2 0 0 0 0 24 9 1 0 0 0 0 25 10 1 0 0 0 0 26 17 1 0 0 0 0 27 19 1 0 0 0 0 28 16 2 0 0 0 0 29 16 1 0 0 0 0 30 26 1 0 0 0 0 31 32 1 0 0 0 0 32 24 2 0 0 0 0 33 29 2 0 0 0 0 34 28 1 0 0 0 0 35 33 1 0 0 0 0 2 3 1 0 0 0 0 6 8 1 0 0 0 0 31 25 2 0 0 0 0 19 17 2 0 0 0 0 35 34 2 0 0 0 0 M END > (P0109390051) P0109390051 > (P0109390051) 1 > (P0109390051) 6 > (P0109390051) 5 > (P0109390051) 4.600000000000000e+000 > (P0109390051) 5 > (P0109390051) 7.930000000000001e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 -0.5083 0.8708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2625 0.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8167 0.8500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1667 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 0.1208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2958 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5542 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -3.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 22 1 0 0 0 0 19 18 1 0 0 0 0 20 23 2 0 0 0 0 21 16 1 0 0 0 0 22 17 2 0 0 0 0 23 15 1 0 0 0 0 24 14 2 0 0 0 0 25 20 1 0 0 0 0 26 13 2 0 0 0 0 27 13 1 0 0 0 0 28 19 1 0 0 0 0 29 25 1 0 0 0 0 30 29 1 0 0 0 0 31 27 2 0 0 0 0 32 26 1 0 0 0 0 33 31 1 0 0 0 0 6 8 1 0 0 0 0 3 5 1 0 0 0 0 20 24 1 0 0 0 0 18 21 2 0 0 0 0 33 32 2 0 0 0 0 M END > (P0109390055) P0109390055 > (P0109390055) 0 > (P0109390055) 6 > (P0109390055) 6 > (P0109390055) 4.800000000000000e+000 > (P0109390055) 5 > (P0109390055) 8.440000000000001e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.2500 0.9958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9500 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1208 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 2 2 0 0 0 0 12 4 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 5 2 0 0 0 0 17 6 2 0 0 0 0 18 9 2 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 15 2 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 26 18 1 0 0 0 0 27 26 2 0 0 0 0 28 22 2 0 0 0 0 29 21 1 0 0 0 0 30 28 1 0 0 0 0 5 6 1 0 0 0 0 23 24 2 0 0 0 0 29 30 2 0 0 0 0 20 27 1 0 0 0 0 M END > (P0110490104) P0110490104 > (P0110490104) 1 > (P0110490104) 3 > (P0110490104) 6 > (P0110490104) 4.500000000000000e+000 > (P0110490104) 4 > (P0110490104) 6.650000000000000e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.2500 0.9958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9500 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1208 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6500 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 0.4333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 0.8458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 3 2 0 0 0 0 13 2 2 0 0 0 0 14 4 1 0 0 0 0 15 7 2 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 14 1 0 0 0 0 20 9 2 0 0 0 0 21 6 2 0 0 0 0 22 5 2 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 19 2 0 0 0 0 26 29 2 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 23 1 0 0 0 0 30 25 1 0 0 0 0 31 24 2 0 0 0 0 32 30 2 0 0 0 0 6 5 1 0 0 0 0 28 27 2 0 0 0 0 31 32 1 0 0 0 0 26 20 1 0 0 0 0 M END > (P0110490105) P0110490105 > (P0110490105) 1 > (P0110490105) 3 > (P0110490105) 6 > (P0110490105) 4.500000000000000e+000 > (P0110490105) 4 > (P0110490105) 6.650000000000000e+001 $$$$ -ISIS- 08092202382D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4208 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 0.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 17 13 2 0 0 0 0 18 14 2 0 0 0 0 M END > (P0111070242) P0111070242 > (P0111070242) 2 > (P0111070242) 6 > (P0111070242) 3 > (P0111070242) 1.200000000000000e+000 > (P0111070242) 2 > (P0111070242) 1.004000000000000e+002 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1958 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 1.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 3.0708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 13 1 0 0 0 0 16 7 2 0 0 0 0 17 10 1 0 0 0 0 18 8 1 0 0 0 0 19 17 2 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 22 15 1 0 0 0 0 23 14 1 0 0 0 0 24 23 2 0 0 0 0 25 20 2 0 0 0 0 26 18 2 0 0 0 0 9 8 2 0 0 0 0 24 16 1 0 0 0 0 25 26 1 0 0 0 0 21 13 2 0 0 0 0 M END > (P0111150003) P0111150003 > (P0111150003) 1 > (P0111150003) 3 > (P0111150003) 4 > (P0111150003) 4.600000000000000e+000 > (P0111150003) 4 > (P0111150003) 7.950000000000000e+001 $$$$ -ISIS- 08092202382D 24 28 0 0 0 0 0 0 0 0999 V2000 -0.5625 -0.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3250 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5625 -1.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8833 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 15 2 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 22 2 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 18 23 1 0 0 0 0 20 19 2 0 0 0 0 21 24 1 0 0 0 0 M END > (P0111190134) P0111190134 > (P0111190134) 0 > (P0111190134) 3 > (P0111190134) 1 > (P0111190134) 4.400000000000000e+000 > (P0111190134) 5 > (P0111190134) 2.480000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 7.2542 0.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9292 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -2.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -0.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5417 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 2 2 0 0 0 0 11 3 2 0 0 0 0 12 6 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 5 1 0 0 0 0 16 4 1 0 0 0 0 17 8 1 0 0 0 0 18 20 2 0 0 0 0 19 13 2 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 22 13 1 0 0 0 0 23 15 2 0 0 0 0 24 16 2 0 0 0 0 25 21 1 0 0 0 0 5 4 2 0 0 0 0 23 24 1 0 0 0 0 18 19 1 0 0 0 0 M END > (P0115030029) P0115030029 > (P0115030029) 1 > (P0115030029) 3 > (P0115030029) 4 > (P0115030029) 3.400000000000000e+000 > (P0115030029) 3 > (P0115030029) 6.650000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 5.2042 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -4.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 3 2 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 5 2 0 0 0 0 15 8 1 0 0 0 0 16 13 1 0 0 0 0 17 10 1 0 0 0 0 18 20 2 0 0 0 0 19 12 2 0 0 0 0 20 14 1 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 15 22 2 0 0 0 0 18 11 1 0 0 0 0 M END > (P0115030874) P0115030874 > (P0115030874) 1 > (P0115030874) 4 > (P0115030874) 6 > (P0115030874) 2.800000000000000e+000 > (P0115030874) 2 > (P0115030874) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.4125 -1.4417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.0542 -0.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7458 0.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0667 -0.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 4 1 0 0 0 0 13 7 2 0 0 0 0 14 7 1 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 12 2 0 0 0 0 18 12 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 22 14 1 0 0 0 0 23 14 2 0 0 0 0 24 16 2 0 0 0 0 25 16 1 0 0 0 0 26 21 1 0 0 0 0 27 23 1 0 0 0 0 28 22 2 0 0 0 0 29 24 1 0 0 0 0 30 25 2 0 0 0 0 31 27 2 0 0 0 0 32 30 1 0 0 0 0 2 3 1 0 0 0 0 20 21 2 0 0 0 0 29 32 2 0 0 0 0 28 31 1 0 0 0 0 M END > (P0115080042) P0115080042 > (P0115080042) 0 > (P0115080042) 5 > (P0115080042) 6 > (P0115080042) 4.300000000000000e+000 > (P0115080042) 4 > (P0115080042) 8.910000000000002e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 -1.7208 -1.7542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5542 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 -0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 0.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7542 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 3.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 3.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9625 3.4333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 7 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 12 1 2 0 0 0 0 13 1 2 0 0 0 0 14 4 1 0 0 0 0 15 2 2 0 0 0 0 16 6 2 0 0 0 0 17 10 1 0 0 0 0 18 9 2 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 6 1 0 0 0 0 24 20 2 0 0 0 0 25 19 1 0 0 0 0 26 24 1 0 0 0 0 27 10 2 0 0 0 0 28 16 1 0 0 0 0 29 17 2 0 0 0 0 30 26 1 0 0 0 0 31 23 2 0 0 0 0 32 27 1 0 0 0 0 33 32 2 0 0 0 0 34 31 1 0 0 0 0 5 3 1 0 0 0 0 26 25 2 0 0 0 0 33 29 1 0 0 0 0 34 28 2 0 0 0 0 M END > (P0115080045) P0115080045 > (P0115080045) 0 > (P0115080045) 5 > (P0115080045) 6 > (P0115080045) 4.700000000000000e+000 > (P0115080045) 4 > (P0115080045) 8.910000000000002e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5458 -1.1667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.0292 -0.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1292 0.0833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8125 0.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3958 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 6 2 0 0 0 0 14 8 1 0 0 0 0 15 6 1 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 14 2 0 0 0 0 19 8 2 0 0 0 0 20 19 1 0 0 0 0 21 15 2 0 0 0 0 22 15 1 0 0 0 0 23 17 1 0 0 0 0 24 17 2 0 0 0 0 25 20 2 0 0 0 0 26 18 1 0 0 0 0 27 22 2 0 0 0 0 28 24 1 0 0 0 0 29 21 1 0 0 0 0 30 23 2 0 0 0 0 31 28 2 0 0 0 0 32 27 1 0 0 0 0 2 4 1 0 0 0 0 25 18 1 0 0 0 0 30 31 1 0 0 0 0 29 32 2 0 0 0 0 M END > (P0115080060) P0115080060 > (P0115080060) 0 > (P0115080060) 5 > (P0115080060) 6 > (P0115080060) 4.300000000000000e+000 > (P0115080060) 4 > (P0115080060) 8.910000000000002e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 -1.7000 -1.2292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3875 -0.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0958 0.1583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5500 -0.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7333 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 2.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 4 1 0 0 0 0 13 7 2 0 0 0 0 14 7 1 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 12 1 0 0 0 0 18 12 2 0 0 0 0 19 21 2 0 0 0 0 20 17 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 14 2 0 0 0 0 24 14 1 0 0 0 0 25 16 2 0 0 0 0 26 16 1 0 0 0 0 27 22 1 0 0 0 0 28 24 2 0 0 0 0 29 23 1 0 0 0 0 30 25 1 0 0 0 0 31 26 2 0 0 0 0 32 28 1 0 0 0 0 33 31 1 0 0 0 0 2 3 1 0 0 0 0 20 19 1 0 0 0 0 30 33 2 0 0 0 0 29 32 2 0 0 0 0 M END > (P0115080078) P0115080078 > (P0115080078) 0 > (P0115080078) 6 > (P0115080078) 7 > (P0115080078) 3.800000000000000e+000 > (P0115080078) 4 > (P0115080078) 9.840000000000002e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.9333 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6625 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -1.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.4667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 4 2 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 3 1 0 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 21 1 0 0 0 0 4 6 1 0 0 0 0 9 10 2 0 0 0 0 M END > (P0116550154) P0116550154 > (P0116550154) 2 > (P0116550154) 6 > (P0116550154) 7 > (P0116550154) 2.700000000000000e+000 > (P0116550154) 2 > (P0116550154) 1.101000000000000e+002 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 -2.1708 -16.6000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -3.0000 -16.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -16.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -17.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -15.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -17.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -15.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -17.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -15.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 -17.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -17.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -18.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -16.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -18.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -18.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -18.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -15.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -18.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -16.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4708 -16.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -19.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 6 2 0 0 0 0 13 9 2 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 15 2 0 0 0 0 17 5 1 0 0 0 0 18 4 1 0 0 0 0 19 11 1 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 10 13 1 0 0 0 0 16 14 1 0 0 0 0 M END > (P0116740013) P0116740013 > (P0116740013) 1 > (P0116740013) 2 > (P0116740013) 3 > (P0116740013) 4.700000000000000e+000 > (P0116740013) 2 > (P0116740013) 5.460000000000000e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 5.1667 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -4.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1667 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -6.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -5.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -3.9750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 5 1 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 9 1 0 0 0 0 19 10 1 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 2 5 2 0 0 0 0 23 19 2 0 0 0 0 M END > (P0117360096) P0117360096 > (P0117360096) 1 > (P0117360096) 5 > (P0117360096) 5 > (P0117360096) 2.100000000000000e+000 > (P0117360096) 2 > (P0117360096) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 0.1542 1.5833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0125 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 1.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1125 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5500 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0167 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9958 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 18 2 0 0 0 0 22 15 1 0 0 0 0 23 16 2 0 0 0 0 24 17 1 0 0 0 0 25 20 1 0 0 0 0 26 19 2 0 0 0 0 27 21 1 0 0 0 0 28 23 1 0 0 0 0 29 25 2 0 0 0 0 3 2 1 0 0 0 0 5 8 1 0 0 0 0 29 26 1 0 0 0 0 27 24 2 0 0 0 0 28 22 2 0 0 0 0 M END > (P0117940077) P0117940077 > (P0117940077) 0 > (P0117940077) 4 > (P0117940077) 4 > (P0117940077) 3.900000000000000e+000 > (P0117940077) 5 > (P0117940077) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.5958 1.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3333 0.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7292 1.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0875 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3833 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4875 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -3.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 16 1 0 0 0 0 21 17 2 0 0 0 0 22 15 2 0 0 0 0 23 14 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 13 2 0 0 0 0 27 13 1 0 0 0 0 28 25 1 0 0 0 0 29 28 1 0 0 0 0 30 27 2 0 0 0 0 31 26 1 0 0 0 0 32 30 1 0 0 0 0 6 8 1 0 0 0 0 5 3 1 0 0 0 0 23 19 2 0 0 0 0 20 18 2 0 0 0 0 31 32 2 0 0 0 0 M END > (P0118650031) P0118650031 > (P0118650031) 0 > (P0118650031) 5 > (P0118650031) 5 > (P0118650031) 4.400000000000000e+000 > (P0118650031) 5 > (P0118650031) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.0125 2.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0125 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 1.5208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6458 1.5208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0000 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6958 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -3.3875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 5 2 0 0 0 0 14 9 2 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 19 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 9 1 0 0 0 0 22 11 2 0 0 0 0 23 11 1 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 21 2 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 29 23 2 0 0 0 0 30 29 1 0 0 0 0 8 4 1 0 0 0 0 3 6 1 0 0 0 0 17 18 2 0 0 0 0 28 25 2 0 0 0 0 27 30 2 0 0 0 0 M END > (P0118650037) P0118650037 > (P0118650037) 0 > (P0118650037) 4 > (P0118650037) 3 > (P0118650037) 4.600000000000000e+000 > (P0118650037) 5 > (P0118650037) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 7.0042 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -3.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2792 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -3.1375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5500 -4.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -2.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -2.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9542 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -6.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 10 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 11 2 0 0 0 0 11 9 1 0 0 0 0 12 4 2 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 3 1 0 0 0 0 18 9 2 0 0 0 0 19 20 2 0 0 0 0 20 18 1 0 0 0 0 21 16 1 0 0 0 0 22 21 1 0 0 0 0 4 7 1 0 0 0 0 10 19 1 0 0 0 0 M CHG 2 5 1 13 -1 M END > (P0124180002) P0124180002 > (P0124180002) 2 > (P0124180002) 5 > (P0124180002) 5 > (P0124180002) 2.600000000000000e+000 > (P0124180002) 2 > (P0124180002) 1.283000000000000e+002 $$$$ -ISIS- 08092202382D 20 22 0 0 0 0 0 0 0 0999 V2000 -0.0208 -0.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2000 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 12 2 0 0 0 0 19 16 2 0 0 0 0 20 18 1 0 0 0 0 3 5 2 0 0 0 0 15 19 1 0 0 0 0 17 20 2 0 0 0 0 M END > (P0125230083) P0125230083 > (P0125230083) 1 > (P0125230083) 3 > (P0125230083) 3 > (P0125230083) 3.800000000000000e+000 > (P0125230083) 3 > (P0125230083) 5.040000000000000e+001 $$$$ -ISIS- 08092202382D 19 21 0 0 0 0 0 0 0 0999 V2000 -1.6708 0.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3125 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 6 3 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 14 2 0 0 0 0 19 17 2 0 0 0 0 2 5 2 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 M END > (P0125230084) P0125230084 > (P0125230084) 0 > (P0125230084) 2 > (P0125230084) 2 > (P0125230084) 3.900000000000000e+000 > (P0125230084) 3 > (P0125230084) 4.159999999999999e+001 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 7.9125 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -5.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -5.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -6.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 -7.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0792 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 10 1 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 4 1 0 0 0 0 22 6 1 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 20 1 0 0 0 0 26 19 1 0 0 0 0 27 23 1 0 0 0 0 4 6 2 0 0 0 0 12 10 1 0 0 0 0 M END > (P0127460558) P0127460558 > (P0127460558) 1 > (P0127460558) 6 > (P0127460558) 8 > (P0127460558) 3.200000000000000e+000 > (P0127460558) 2 > (P0127460558) 1.113000000000000e+002 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 8.7000 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -5.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -6.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -7.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -3.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7167 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 10 2 0 0 0 0 15 3 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 20 10 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 17 1 0 0 0 0 24 16 1 0 0 0 0 25 19 1 0 0 0 0 26 24 1 0 0 0 0 27 23 1 0 0 0 0 3 4 2 0 0 0 0 18 22 2 0 0 0 0 M END > (P0127500071) P0127500071 > (P0127500071) 1 > (P0127500071) 6 > (P0127500071) 9 > (P0127500071) 3.600000000000000e+000 > (P0127500071) 2 > (P0127500071) 1.192000000000000e+002 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 6.0125 -11.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -12.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -11.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -12.5917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -11.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -10.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -12.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -11.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -12.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -11.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -10.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -8.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -10.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 3 2 0 0 0 0 12 11 1 0 0 0 0 13 6 2 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 17 9 2 0 0 0 0 18 14 1 0 0 0 0 19 14 2 0 0 0 0 20 18 1 0 0 0 0 21 15 1 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 8 4 1 0 0 0 0 10 12 2 0 0 0 0 16 23 1 0 0 0 0 19 24 1 0 0 0 0 M END > (P0127500115) P0127500115 > (P0127500115) 1 > (P0127500115) 4 > (P0127500115) 3 > (P0127500115) 3.800000000000000e+000 > (P0127500115) 4 > (P0127500115) 9.240000000000001e+001 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 0.6000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.5125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 2.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.1333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.3667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 10 2 0 0 0 0 16 3 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 22 2 0 0 0 0 22 13 1 0 0 0 0 23 12 2 0 0 0 0 24 17 1 0 0 0 0 25 18 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 4 3 2 0 0 0 0 23 21 1 0 0 0 0 M END > (P0128680116) P0128680116 > (P0128680116) 1 > (P0128680116) 5 > (P0128680116) 8 > (P0128680116) 4.000000000000000e+000 > (P0128680116) 2 > (P0128680116) 1.099000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 8.2250 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7000 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -3.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -8.1542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7000 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1917 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -6.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6875 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 -2.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2125 -5.4792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -5.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2125 -5.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -6.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -9.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -9.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 16 1 0 0 0 0 15 2 1 0 0 0 0 16 12 1 0 0 0 0 17 6 2 0 0 0 0 18 11 2 0 0 0 0 19 12 2 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 7 1 0 0 0 0 23 10 1 0 0 0 0 24 16 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 10 7 2 0 0 0 0 26 27 1 0 0 0 0 4 11 1 0 0 0 0 M END > (P0138080071) P0138080071 > (P0138080071) 3 > (P0138080071) 7 > (P0138080071) 6 > (P0138080071) 1.900000000000000e+000 > (P0138080071) 3 > (P0138080071) 1.795000000000000e+002 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.1917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -2.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 10 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 1 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 5 2 0 0 0 0 15 6 2 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 19 13 2 0 0 0 0 20 14 1 0 0 0 0 21 20 2 0 0 0 0 22 18 2 0 0 0 0 23 19 1 0 0 0 0 24 23 2 0 0 0 0 6 3 1 0 0 0 0 21 15 1 0 0 0 0 22 24 1 0 0 0 0 M END > (P1000454) P1000454 > (P1000454) 0 > (P1000454) 4 > (P1000454) 5 > (P1000454) 3.900000000000000e+000 > (P1000454) 3 > (P1000454) 5.630000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 7.4250 -5.5542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0167 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4917 -7.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2875 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -5.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7125 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -4.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 18 2 0 0 0 0 12 1 2 0 0 0 0 13 1 2 0 0 0 0 14 10 1 0 0 0 0 15 2 2 0 0 0 0 16 7 1 0 0 0 0 17 14 1 0 0 0 0 18 8 1 0 0 0 0 19 14 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 22 3 1 0 0 0 0 23 4 1 0 0 0 0 24 16 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 5 6 2 0 0 0 0 4 2 1 0 0 0 0 21 20 2 0 0 0 0 29 28 2 0 0 0 0 M END > (P1005843) P1005843 > (P1005843) 0 > (P1005843) 3 > (P1005843) 6 > (P1005843) 2.600000000000000e+000 > (P1005843) 4 > (P1005843) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 7.4167 -5.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0125 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4875 -7.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -5.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7042 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -6.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 16 2 0 0 0 0 13 2 2 0 0 0 0 14 7 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 23 1 0 0 0 0 22 15 1 0 0 0 0 23 18 2 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 22 2 0 0 0 0 28 25 1 0 0 0 0 29 26 2 0 0 0 0 30 27 1 0 0 0 0 31 30 2 0 0 0 0 5 6 2 0 0 0 0 21 24 2 0 0 0 0 4 2 1 0 0 0 0 31 29 1 0 0 0 0 M END > (P1005849) P1005849 > (P1005849) 0 > (P1005849) 4 > (P1005849) 6 > (P1005849) 3.400000000000000e+000 > (P1005849) 4 > (P1005849) 7.850000000000000e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 7.4167 -5.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0125 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4875 -7.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -5.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7042 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -6.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 16 2 0 0 0 0 13 2 2 0 0 0 0 14 7 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 23 1 0 0 0 0 22 15 1 0 0 0 0 23 18 2 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 25 1 0 0 0 0 27 22 2 0 0 0 0 28 22 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 32 31 1 0 0 0 0 5 6 2 0 0 0 0 21 24 2 0 0 0 0 4 2 1 0 0 0 0 32 30 2 0 0 0 0 M END > (P1005858) P1005858 > (P1005858) 0 > (P1005858) 4 > (P1005858) 7 > (P1005858) 3.700000000000000e+000 > (P1005858) 4 > (P1005858) 7.850000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 7.4042 -5.5542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0042 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -5.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4792 -7.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2750 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -5.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6917 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -4.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2125 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 -4.6750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 18 2 0 0 0 0 12 1 2 0 0 0 0 13 1 2 0 0 0 0 14 10 1 0 0 0 0 15 2 2 0 0 0 0 16 7 1 0 0 0 0 17 14 1 0 0 0 0 18 8 1 0 0 0 0 19 14 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 22 3 1 0 0 0 0 23 4 1 0 0 0 0 24 16 1 0 0 0 0 25 29 2 0 0 0 0 26 25 1 0 0 0 0 27 24 1 0 0 0 0 28 24 2 0 0 0 0 29 28 1 0 0 0 0 30 27 2 0 0 0 0 5 6 2 0 0 0 0 4 2 1 0 0 0 0 25 30 1 0 0 0 0 21 20 2 0 0 0 0 M END > (P1005859) P1005859 > (P1005859) 0 > (P1005859) 3 > (P1005859) 6 > (P1005859) 3.200000000000000e+000 > (P1005859) 4 > (P1005859) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 7.4250 -5.5667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0167 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4917 -7.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2875 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -5.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7125 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 15 2 0 0 0 0 13 2 2 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 7 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 16 2 0 0 0 0 22 19 2 0 0 0 0 23 19 1 0 0 0 0 24 21 1 0 0 0 0 25 20 2 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 24 2 0 0 0 0 29 26 1 0 0 0 0 5 6 2 0 0 0 0 4 2 1 0 0 0 0 28 25 1 0 0 0 0 29 27 2 0 0 0 0 M END > (P1005867) P1005867 > (P1005867) 0 > (P1005867) 3 > (P1005867) 5 > (P1005867) 3.400000000000000e+000 > (P1005867) 4 > (P1005867) 6.930000000000001e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 6.7417 -7.8750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.9167 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -7.8750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9792 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -8.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -7.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -9.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -5.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -10.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 20 2 0 0 0 0 17 7 1 0 0 0 0 18 15 2 0 0 0 0 19 13 2 0 0 0 0 20 14 1 0 0 0 0 21 8 1 0 0 0 0 22 16 1 0 0 0 0 23 15 1 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 19 16 1 0 0 0 0 12 18 1 0 0 0 0 M END > (P1006246) P1006246 > (P1006246) 0 > (P1006246) 6 > (P1006246) 8 > (P1006246) 2.700000000000000e+000 > (P1006246) 2 > (P1006246) 9.050000000000000e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 2.1667 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 14 2 0 0 0 0 14 11 1 0 0 0 0 15 3 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 5 1 0 0 0 0 21 12 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 24 18 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 M END > (P1006613) P1006613 > (P1006613) 1 > (P1006613) 5 > (P1006613) 6 > (P1006613) 1.800000000000000e+000 > (P1006613) 2 > (P1006613) 8.700000000000000e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 2.1667 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -2.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 5 2 0 0 0 0 14 4 2 0 0 0 0 15 2 2 0 0 0 0 16 12 2 0 0 0 0 17 10 2 0 0 0 0 18 11 2 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 3 1 0 0 0 0 22 9 1 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 8 9 1 0 0 0 0 16 14 1 0 0 0 0 M END > (P1006616) P1006616 > (P1006616) 1 > (P1006616) 5 > (P1006616) 6 > (P1006616) 1.700000000000000e+000 > (P1006616) 2 > (P1006616) 9.480000000000001e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 5.1625 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8792 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -3.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.5917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 1 2 0 0 0 0 13 6 2 0 0 0 0 14 4 2 0 0 0 0 15 10 2 0 0 0 0 16 9 2 0 0 0 0 17 13 1 0 0 0 0 18 10 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 2 1 0 0 0 0 22 5 2 0 0 0 0 23 8 2 0 0 0 0 24 18 1 0 0 0 0 25 26 2 0 0 0 0 26 23 1 0 0 0 0 11 2 1 0 0 0 0 19 16 1 0 0 0 0 25 22 1 0 0 0 0 M END > (P1007046) P1007046 > (P1007046) 1 > (P1007046) 5 > (P1007046) 4 > (P1007046) 3.400000000000000e+000 > (P1007046) 3 > (P1007046) 8.170000000000000e+001 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 5.1625 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8792 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -3.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -6.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.5917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 5 2 0 0 0 0 15 4 2 0 0 0 0 16 1 2 0 0 0 0 17 7 2 0 0 0 0 18 6 2 0 0 0 0 19 13 2 0 0 0 0 20 10 2 0 0 0 0 21 12 2 0 0 0 0 22 9 2 0 0 0 0 23 17 1 0 0 0 0 24 10 1 0 0 0 0 25 12 1 0 0 0 0 26 23 2 0 0 0 0 27 23 1 0 0 0 0 28 2 1 0 0 0 0 29 24 1 0 0 0 0 30 25 1 0 0 0 0 11 2 1 0 0 0 0 26 22 1 0 0 0 0 19 15 1 0 0 0 0 M END > (P1007047) P1007047 > (P1007047) 1 > (P1007047) 7 > (P1007047) 6 > (P1007047) 3.200000000000000e+000 > (P1007047) 3 > (P1007047) 1.080000000000000e+002 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 8.7292 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -3.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8792 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -3.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -5.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -6.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.5917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 4 1 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 8 3 1 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 1 1 0 0 0 0 12 3 2 0 0 0 0 13 4 1 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 16 2 2 0 0 0 0 17 7 2 0 0 0 0 18 6 2 0 0 0 0 19 11 2 0 0 0 0 20 10 2 0 0 0 0 21 23 2 0 0 0 0 22 11 1 0 0 0 0 23 20 1 0 0 0 0 24 14 1 0 0 0 0 25 15 1 0 0 0 0 26 21 1 0 0 0 0 27 4 1 0 0 0 0 28 22 1 0 0 0 0 29 25 1 0 0 0 0 30 24 1 0 0 0 0 15 12 1 0 0 0 0 7 2 1 0 0 0 0 17 21 1 0 0 0 0 M END > (P1007051) P1007051 > (P1007051) 1 > (P1007051) 7 > (P1007051) 6 > (P1007051) 3.300000000000000e+000 > (P1007051) 3 > (P1007051) 1.002000000000000e+002 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 7.0167 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -1.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -1.3250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8875 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 13 6 2 0 0 0 0 14 6 1 0 0 0 0 15 11 1 0 0 0 0 16 5 1 0 0 0 0 17 1 2 0 0 0 0 18 4 2 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 23 2 0 0 0 0 18 24 1 0 0 0 0 15 12 2 0 0 0 0 M END > (P1013555) P1013555 > (P1013555) 1 > (P1013555) 4 > (P1013555) 6 > (P1013555) 3.800000000000000e+000 > (P1013555) 2 > (P1013555) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 4.8750 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8500 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6542 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -2.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -3.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 2 1 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 6 2 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 8 2 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 9 1 0 0 0 0 22 20 1 0 0 0 0 23 16 2 0 0 0 0 24 15 1 0 0 0 0 25 20 2 0 0 0 0 26 19 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 28 2 0 0 0 0 5 11 1 0 0 0 0 9 10 1 0 0 0 0 17 15 2 0 0 0 0 25 29 1 0 0 0 0 M END > (P1033173) P1033173 > (P1033173) 2 > (P1033173) 6 > (P1033173) 5 > (P1033173) 2.800000000000000e+000 > (P1033173) 4 > (P1033173) 1.195000000000000e+002 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.8750 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -4.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -3.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -3.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -0.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 14 1 0 0 0 0 12 2 2 0 0 0 0 13 10 1 0 0 0 0 14 15 2 0 0 0 0 15 6 1 0 0 0 0 16 8 1 0 0 0 0 17 20 1 0 0 0 0 18 16 2 0 0 0 0 19 16 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 17 1 0 0 0 0 23 25 2 0 0 0 0 24 23 1 0 0 0 0 25 15 1 0 0 0 0 26 7 1 0 0 0 0 27 10 1 0 0 0 0 28 9 1 0 0 0 0 29 22 1 0 0 0 0 13 9 2 0 0 0 0 24 11 2 0 0 0 0 21 17 2 0 0 0 0 M END > (P1061201) P1061201 > (P1061201) 2 > (P1061201) 6 > (P1061201) 7 > (P1061201) 3.100000000000000e+000 > (P1061201) 3 > (P1061201) 8.540000000000001e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 4.6792 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3083 -1.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2542 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 14 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 15 1 0 0 0 0 13 2 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 8 2 0 0 0 0 17 7 2 0 0 0 0 18 6 2 0 0 0 0 19 12 2 0 0 0 0 20 12 1 0 0 0 0 21 4 1 0 0 0 0 22 3 1 0 0 0 0 23 15 1 0 0 0 0 24 14 1 0 0 0 0 25 21 1 0 0 0 0 26 23 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 4 9 2 0 0 0 0 13 16 1 0 0 0 0 M END > (P1098185) P1098185 > (P1098185) 2 > (P1098185) 6 > (P1098185) 9 > (P1098185) 4.200000000000000e+000 > (P1098185) 2 > (P1098185) 1.019000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 4.8917 -6.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1750 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -5.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0375 -5.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -7.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -4.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -8.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 2 2 0 0 0 0 13 9 1 0 0 0 0 14 6 2 0 0 0 0 15 13 2 0 0 0 0 16 11 1 0 0 0 0 17 4 2 0 0 0 0 18 15 1 0 0 0 0 19 13 1 0 0 0 0 20 16 1 0 0 0 0 21 7 1 0 0 0 0 22 10 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 17 1 0 0 0 0 26 21 1 0 0 0 0 27 22 1 0 0 0 0 4 10 1 0 0 0 0 25 27 2 0 0 0 0 16 18 2 0 0 0 0 M END > (P1099013) P1099013 > (P1099013) 1 > (P1099013) 5 > (P1099013) 6 > (P1099013) 2.600000000000000e+000 > (P1099013) 3 > (P1099013) 8.019999999999999e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 0.1417 -4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -4.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -4.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3375 -4.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -2.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 16 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 2 2 0 0 0 0 12 5 1 0 0 0 0 13 6 2 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 10 2 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 10 1 0 0 0 0 21 18 1 0 0 0 0 22 5 2 0 0 0 0 23 12 2 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 26 2 0 0 0 0 15 14 1 0 0 0 0 27 23 1 0 0 0 0 18 19 2 0 0 0 0 M END > (P1109083) P1109083 > (P1109083) 2 > (P1109083) 5 > (P1109083) 6 > (P1109083) 2.700000000000000e+000 > (P1109083) 3 > (P1109083) 1.020000000000000e+002 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.9417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 4 2 0 0 0 0 10 2 2 0 0 0 0 11 6 2 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 3 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 18 8 1 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 5 6 1 0 0 0 0 15 11 1 0 0 0 0 24 19 2 0 0 0 0 M END > (P1111788) P1111788 > (P1111788) 1 > (P1111788) 3 > (P1111788) 5 > (P1111788) 3.400000000000000e+000 > (P1111788) 3 > (P1111788) 6.070000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 3.4792 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3042 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2042 -1.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9917 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -1.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4167 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 -2.1417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0625 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 11 1 0 0 0 0 15 6 2 0 0 0 0 16 5 2 0 0 0 0 17 8 1 0 0 0 0 18 10 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 17 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 18 1 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 23 2 0 0 0 0 29 24 1 0 0 0 0 30 25 1 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 4 3 1 0 0 0 0 8 9 1 0 0 0 0 12 14 2 0 0 0 0 32 29 1 0 0 0 0 31 27 2 0 0 0 0 M END > (P1112076) P1112076 > (P1112076) 0 > (P1112076) 6 > (P1112076) 5 > (P1112076) 4.300000000000000e+000 > (P1112076) 5 > (P1112076) 1.044000000000000e+002 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 7.6542 -0.9542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.4750 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -2.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9917 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 5 2 0 0 0 0 16 9 1 0 0 0 0 17 10 2 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 8 11 2 0 0 0 0 17 23 1 0 0 0 0 M END > (P1114464) P1114464 > (P1114464) 1 > (P1114464) 3 > (P1114464) 6 > (P1114464) 4.300000000000000e+000 > (P1114464) 2 > (P1114464) 6.380000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 7.6542 -0.9542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.4750 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 11 2 0 0 0 0 13 7 1 0 0 0 0 14 9 1 0 0 0 0 15 4 2 0 0 0 0 16 9 2 0 0 0 0 17 14 1 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 20 2 0 0 0 0 12 10 1 0 0 0 0 16 22 1 0 0 0 0 M END > (P1114468) P1114468 > (P1114468) 1 > (P1114468) 4 > (P1114468) 6 > (P1114468) 3.100000000000000e+000 > (P1114468) 2 > (P1114468) 7.300000000000000e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 7.2417 -1.9667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.0625 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -3.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0250 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -3.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 7 2 0 0 0 0 17 8 1 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 24 22 1 0 0 0 0 25 21 1 0 0 0 0 26 23 2 0 0 0 0 6 8 2 0 0 0 0 26 18 1 0 0 0 0 M END > (P1114479) P1114479 > (P1114479) 1 > (P1114479) 4 > (P1114479) 8 > (P1114479) 4.700000000000000e+000 > (P1114479) 2 > (P1114479) 7.300000000000000e+001 $$$$ -ISIS- 08092202382D 22 24 0 0 0 0 0 0 0 0999 V2000 5.2792 -1.6292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4542 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9625 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -1.5667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 4 2 0 0 0 0 12 8 2 0 0 0 0 13 15 2 0 0 0 0 14 3 1 0 0 0 0 15 11 1 0 0 0 0 16 8 1 0 0 0 0 17 13 1 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 18 2 0 0 0 0 22 21 1 0 0 0 0 5 7 1 0 0 0 0 12 13 1 0 0 0 0 19 22 2 0 0 0 0 M END > (P1114600) P1114600 > (P1114600) 0 > (P1114600) 4 > (P1114600) 3 > (P1114600) 3.200000000000000e+000 > (P1114600) 3 > (P1114600) 6.959999999999999e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 5.6667 -2.0167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3542 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 10 2 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 7 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 21 16 2 0 0 0 0 22 21 1 0 0 0 0 23 19 1 0 0 0 0 5 7 1 0 0 0 0 15 12 1 0 0 0 0 18 22 2 0 0 0 0 M END > (P1114604) P1114604 > (P1114604) 0 > (P1114604) 4 > (P1114604) 4 > (P1114604) 3.900000000000000e+000 > (P1114604) 3 > (P1114604) 6.959999999999999e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 5.2792 -1.6292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4542 -1.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1000 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -0.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -1.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 3 2 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 4 1 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 9 1 0 0 0 0 21 16 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 5 9 1 0 0 0 0 13 8 1 0 0 0 0 20 23 2 0 0 0 0 M END > (P1114608) P1114608 > (P1114608) 0 > (P1114608) 4 > (P1114608) 3 > (P1114608) 4.300000000000000e+000 > (P1114608) 3 > (P1114608) 6.959999999999999e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 5.2792 -2.0167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4542 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1000 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 7 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 4 1 0 0 0 0 16 9 1 0 0 0 0 17 12 1 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 14 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 8 5 1 0 0 0 0 14 12 2 0 0 0 0 24 19 2 0 0 0 0 M END > (P1114611) P1114611 > (P1114611) 0 > (P1114611) 5 > (P1114611) 4 > (P1114611) 3.400000000000000e+000 > (P1114611) 3 > (P1114611) 7.880000000000000e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 5.6875 -2.3875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.8625 -2.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -2.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -3.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1500 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 3 2 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 11 1 0 0 0 0 14 15 1 0 0 0 0 15 12 2 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 12 1 0 0 0 0 19 7 1 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 18 1 0 0 0 0 24 17 2 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 5 7 1 0 0 0 0 11 14 2 0 0 0 0 19 25 2 0 0 0 0 M END > (P1114636) P1114636 > (P1114636) 0 > (P1114636) 4 > (P1114636) 5 > (P1114636) 4.700000000000000e+000 > (P1114636) 3 > (P1114636) 6.959999999999999e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 5.2917 -2.3875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4667 -2.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1167 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.7542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 7 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 9 1 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 14 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 8 5 1 0 0 0 0 12 14 2 0 0 0 0 23 19 2 0 0 0 0 M END > (P1114639) P1114639 > (P1114639) 0 > (P1114639) 4 > (P1114639) 4 > (P1114639) 4.400000000000000e+000 > (P1114639) 3 > (P1114639) 6.959999999999999e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 6.5167 -8.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -9.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5792 -8.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -6.9417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5167 -6.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -7.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -8.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -9.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8042 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -9.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -7.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -10.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -9.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -10.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 10 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 12 7 1 0 0 0 0 13 1 1 0 0 0 0 14 15 2 0 0 0 0 15 9 1 0 0 0 0 16 13 1 0 0 0 0 17 2 1 0 0 0 0 18 12 1 0 0 0 0 19 8 1 0 0 0 0 20 12 2 0 0 0 0 21 9 2 0 0 0 0 22 11 2 0 0 0 0 23 18 1 0 0 0 0 24 17 2 0 0 0 0 25 20 1 0 0 0 0 26 24 1 0 0 0 0 13 27 1 6 0 0 0 6 8 2 0 0 0 0 19 26 2 0 0 0 0 14 7 1 0 0 0 0 23 25 2 0 0 0 0 M END > (P11182428) P11182428 > (P11182428) 1 > (P11182428) 5 > (P11182428) 5 > (P11182428) 9.000000000000000e-001 > (P11182428) 4 > (P11182428) 1.051000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 2.6125 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -3.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2458 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -4.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -4.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5042 -4.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -3.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -3.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6375 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -5.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -4.5417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -6.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 12 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 13 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 9 1 0 0 0 0 18 8 2 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 16 2 0 0 0 0 22 5 1 0 0 0 0 13 23 1 1 0 0 0 24 15 2 0 0 0 0 25 21 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 9 6 2 0 0 0 0 17 20 2 0 0 0 0 11 10 2 0 0 0 0 24 21 1 0 0 0 0 M END > (P11182890) P11182890 > (P11182890) 1 > (P11182890) 5 > (P11182890) 9 > (P11182890) 3.400000000000000e+000 > (P11182890) 4 > (P11182890) 9.880000000000001e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 3.8417 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -4.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9750 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -5.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -4.3625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1500 -4.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -5.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -5.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4000 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 11 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 8 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 16 7 2 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 5 1 0 0 0 0 20 10 2 0 0 0 0 21 12 2 0 0 0 0 13 22 1 6 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 25 23 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 9 6 2 0 0 0 0 15 18 2 0 0 0 0 12 10 1 0 0 0 0 27 26 2 0 0 0 0 M END > (P11182995) P11182995 > (P11182995) 1 > (P11182995) 4 > (P11182995) 6 > (P11182995) 2.400000000000000e+000 > (P11182995) 4 > (P11182995) 7.350000000000000e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 1.6667 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -2.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -1.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -2.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3792 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 4 2 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 13 19 1 1 0 0 0 20 15 1 0 0 0 0 21 20 1 0 0 0 0 22 17 2 0 0 0 0 23 18 2 0 0 0 0 24 21 1 0 0 0 0 6 9 2 0 0 0 0 12 11 2 0 0 0 0 22 23 1 0 0 0 0 M END > (P11183219) P11183219 > (P11183219) 2 > (P11183219) 3 > (P11183219) 6 > (P11183219) 3.700000000000000e+000 > (P11183219) 3 > (P11183219) 9.890000000000002e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 1.6542 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9042 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -2.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -1.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4625 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -3.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1375 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 13 1 0 0 0 0 6 5 2 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 2 0 0 0 0 15 3 2 0 0 0 0 16 8 2 0 0 0 0 17 2 1 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 13 23 1 1 0 0 0 24 17 1 0 0 0 0 25 17 1 0 0 0 0 26 20 1 0 0 0 0 27 22 2 0 0 0 0 28 21 2 0 0 0 0 7 2 1 0 0 0 0 19 14 1 0 0 0 0 12 11 2 0 0 0 0 28 27 1 0 0 0 0 M END > (P11183246) P11183246 > (P11183246) 2 > (P11183246) 3 > (P11183246) 5 > (P11183246) 4.000000000000000e+000 > (P11183246) 4 > (P11183246) 7.190000000000001e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -3.0958 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.8083 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -4.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -2.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -3.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4792 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2375 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 11 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 14 22 1 0 0 0 0 15 1 2 0 0 0 0 16 14 2 0 0 0 0 17 4 1 0 0 0 0 13 18 1 1 0 0 0 19 5 2 0 0 0 0 20 25 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 25 18 1 0 0 0 0 26 11 2 0 0 0 0 27 20 1 0 0 0 0 28 19 1 0 0 0 0 29 23 2 0 0 0 0 30 24 2 0 0 0 0 31 28 2 0 0 0 0 7 8 2 0 0 0 0 26 31 1 0 0 0 0 9 10 2 0 0 0 0 30 29 1 0 0 0 0 M END > (P11183425) P11183425 > (P11183425) 2 > (P11183425) 5 > (P11183425) 9 > (P11183425) 2.700000000000000e+000 > (P11183425) 4 > (P11183425) 1.157000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -2.3750 -2.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.1083 -2.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -4.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -3.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4792 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2375 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 13 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 11 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 14 22 1 0 0 0 0 15 2 2 0 0 0 0 16 14 2 0 0 0 0 17 5 1 0 0 0 0 13 18 1 1 0 0 0 19 7 2 0 0 0 0 20 25 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 25 18 1 0 0 0 0 26 11 2 0 0 0 0 27 20 1 0 0 0 0 28 31 2 0 0 0 0 29 23 2 0 0 0 0 30 24 2 0 0 0 0 31 26 1 0 0 0 0 7 2 1 0 0 0 0 19 28 1 0 0 0 0 9 10 2 0 0 0 0 30 29 1 0 0 0 0 M END > (P11183426) P11183426 > (P11183426) 2 > (P11183426) 6 > (P11183426) 9 > (P11183426) 3.600000000000000e+000 > (P11183426) 4 > (P11183426) 1.281000000000000e+002 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 -0.2333 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -4.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -4.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4542 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 13 1 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 1 2 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 2 2 0 0 0 0 13 15 1 1 0 0 0 16 21 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 19 2 0 0 0 0 24 20 2 0 0 0 0 7 6 1 0 0 0 0 11 12 2 0 0 0 0 24 23 1 0 0 0 0 M END > (P11183445) P11183445 > (P11183445) 2 > (P11183445) 4 > (P11183445) 6 > (P11183445) 2.000000000000000e+000 > (P11183445) 3 > (P11183445) 1.091000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.2333 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -4.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -4.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -4.0542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1708 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 13 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 6 2 0 0 0 0 13 16 1 1 0 0 0 17 14 1 0 0 0 0 18 22 1 0 0 0 0 19 9 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 16 1 0 0 0 0 23 18 1 0 0 0 0 24 17 2 0 0 0 0 25 17 1 0 0 0 0 26 21 2 0 0 0 0 27 20 2 0 0 0 0 28 25 2 0 0 0 0 29 24 1 0 0 0 0 30 28 1 0 0 0 0 8 9 1 0 0 0 0 11 12 2 0 0 0 0 29 30 2 0 0 0 0 26 27 1 0 0 0 0 M END > (P11183451) P11183451 > (P11183451) 2 > (P11183451) 4 > (P11183451) 8 > (P11183451) 4.100000000000000e+000 > (P11183451) 4 > (P11183451) 1.242000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.9500 -3.3667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0375 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -4.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -3.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8458 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4250 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 2 2 0 0 0 0 16 6 2 0 0 0 0 14 17 1 1 0 0 0 18 24 1 0 0 0 0 19 9 2 0 0 0 0 20 11 2 0 0 0 0 8 21 1 6 0 0 0 22 12 1 0 0 0 0 23 13 1 0 0 0 0 24 17 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 20 1 0 0 0 0 28 23 2 0 0 0 0 29 22 2 0 0 0 0 11 9 1 0 0 0 0 27 26 2 0 0 0 0 12 13 2 0 0 0 0 28 29 1 0 0 0 0 M END > (P11183459) P11183459 > (P11183459) 2 > (P11183459) 4 > (P11183459) 7 > (P11183459) 2.600000000000000e+000 > (P11183459) 4 > (P11183459) 1.034000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.9625 -2.5417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6167 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -2.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -1.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -4.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4625 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 15 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 9 2 0 0 0 0 15 17 1 1 0 0 0 18 6 2 0 0 0 0 19 24 1 0 0 0 0 20 7 1 0 0 0 0 21 8 2 0 0 0 0 22 13 1 0 0 0 0 23 14 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 26 27 2 0 0 0 0 27 21 1 0 0 0 0 28 23 2 0 0 0 0 29 22 2 0 0 0 0 5 10 1 0 0 0 0 26 18 1 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 M END > (P11183472) P11183472 > (P11183472) 2 > (P11183472) 6 > (P11183472) 7 > (P11183472) 2.300000000000000e+000 > (P11183472) 4 > (P11183472) 1.267000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 0.8292 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7167 1.6250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0875 0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -0.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 1.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5542 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 1.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 4 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 15 1 0 0 0 0 11 8 1 0 0 0 0 12 9 2 0 0 0 0 13 3 1 0 0 0 0 14 1 1 0 0 0 0 15 14 1 0 0 0 0 16 3 1 0 0 0 0 17 13 1 0 0 0 0 18 10 2 0 0 0 0 14 19 1 6 0 0 0 20 16 2 0 0 0 0 21 20 1 0 0 0 0 22 8 2 0 0 0 0 23 9 1 0 0 0 0 24 11 2 0 0 0 0 25 19 1 0 0 0 0 26 22 1 0 0 0 0 27 25 1 0 0 0 0 28 25 1 0 0 0 0 29 26 2 0 0 0 0 7 13 2 0 0 0 0 17 21 2 0 0 0 0 29 24 1 0 0 0 0 6 12 1 0 0 0 0 M END > (P11183792) P11183792 > (P11183792) 1 > (P11183792) 6 > (P11183792) 6 > (P11183792) 2.200000000000000e+000 > (P11183792) 4 > (P11183792) 1.029000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 2.9875 -8.1792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.8625 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -7.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6250 -5.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2792 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -5.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -5.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -7.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -8.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -6.9500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 13 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 1 2 0 0 0 0 15 1 2 0 0 0 0 16 6 1 0 0 0 0 17 9 2 0 0 0 0 18 20 1 0 0 0 0 19 1 1 0 0 0 0 20 16 2 0 0 0 0 21 5 1 0 0 0 0 22 4 1 0 0 0 0 23 16 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 12 26 1 1 0 0 0 27 19 1 0 0 0 0 28 27 1 0 0 0 0 29 24 2 0 0 0 0 30 25 2 0 0 0 0 28 22 1 0 0 0 0 18 13 2 0 0 0 0 8 7 2 0 0 0 0 29 30 1 0 0 0 0 M END > (P11184935) P11184935 > (P11184935) 1 > (P11184935) 4 > (P11184935) 4 > (P11184935) 3.300000000000000e+000 > (P11184935) 4 > (P11184935) 9.269999999999999e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.8625 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -5.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2750 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -5.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -4.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -5.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -5.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -8.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 7 10 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 1 1 0 0 0 0 12 13 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 6 1 0 0 0 0 16 12 2 0 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 19 3 1 0 0 0 0 20 21 1 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 20 1 0 0 0 0 24 8 1 0 0 0 0 25 9 1 0 0 0 0 26 10 1 0 0 0 0 11 27 1 1 0 0 0 28 29 1 0 0 0 0 29 19 1 0 0 0 0 30 28 1 0 0 0 0 31 24 2 0 0 0 0 32 25 2 0 0 0 0 9 8 2 0 0 0 0 31 32 1 0 0 0 0 5 7 1 0 0 0 0 20 22 2 0 0 0 0 M END > (P11184946) P11184946 > (P11184946) 2 > (P11184946) 4 > (P11184946) 8 > (P11184946) 3.700000000000000e+000 > (P11184946) 4 > (P11184946) 8.480000000000001e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 10.8542 -8.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7000 -8.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -6.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0792 -9.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -6.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8292 -9.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -7.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -7.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1667 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -7.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 -9.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1375 -7.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -8.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9042 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 -10.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2917 -9.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8542 -10.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 1 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 2 2 0 0 0 0 16 8 2 0 0 0 0 17 12 1 0 0 0 0 18 6 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 11 21 1 1 0 0 0 22 14 1 0 0 0 0 23 20 1 0 0 0 0 24 20 2 0 0 0 0 25 18 2 0 0 0 0 26 22 2 0 0 0 0 27 24 1 0 0 0 0 28 23 2 0 0 0 0 29 27 2 0 0 0 0 14 6 2 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 29 28 1 0 0 0 0 M END > (P11185099) P11185099 > (P11185099) 2 > (P11185099) 5 > (P11185099) 6 > (P11185099) 2.800000000000000e+000 > (P11185099) 4 > (P11185099) 1.033000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 4.1917 -11.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -11.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -12.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -10.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -10.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -10.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -12.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -11.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -11.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -12.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -10.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1000 -12.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -10.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -9.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -9.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -8.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -13.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -9.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -8.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -12.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -13.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 13 2 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 1 1 0 0 0 0 14 4 1 0 0 0 0 15 5 2 0 0 0 0 16 14 2 0 0 0 0 17 14 1 0 0 0 0 12 18 1 1 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 26 1 0 0 0 0 23 19 1 0 0 0 0 24 10 1 0 0 0 0 25 11 1 0 0 0 0 26 18 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 25 2 0 0 0 0 30 24 2 0 0 0 0 7 9 1 0 0 0 0 19 21 2 0 0 0 0 11 10 2 0 0 0 0 30 29 1 0 0 0 0 M END > (P11185148) P11185148 > (P11185148) 3 > (P11185148) 5 > (P11185148) 8 > (P11185148) 3.400000000000000e+000 > (P11185148) 4 > (P11185148) 1.210000000000000e+002 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 6.4000 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6917 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4000 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -3.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -1.8625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4000 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8292 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6917 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 10 2 0 0 0 0 18 13 1 0 0 0 0 19 5 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 18 1 0 0 0 0 23 18 1 0 0 0 0 24 18 1 0 0 0 0 25 21 1 0 0 0 0 26 21 1 0 0 0 0 6 3 1 0 0 0 0 9 7 2 0 0 0 0 M END > (P11186097) P11186097 > (P11186097) 1 > (P11186097) 5 > (P11186097) 6 > (P11186097) 1.700000000000000e+000 > (P11186097) 2 > (P11186097) 9.880000000000001e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 3.1667 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -4.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.5500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 18 2 0 0 0 0 14 10 2 0 0 0 0 15 8 2 0 0 0 0 16 9 2 0 0 0 0 17 12 1 0 0 0 0 18 10 1 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 14 1 0 0 0 0 22 9 1 0 0 0 0 23 21 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 4 5 1 0 0 0 0 17 11 2 0 0 0 0 21 25 2 0 0 0 0 M END > (P1158012) P1158012 > (P1158012) 1 > (P1158012) 5 > (P1158012) 6 > (P1158012) 3.000000000000000e+000 > (P1158012) 3 > (P1158012) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 6.8000 -4.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8000 -3.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -3.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -7.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -9.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -9.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -10.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 11 2 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 15 8 2 0 0 0 0 16 17 2 0 0 0 0 17 15 1 0 0 0 0 18 10 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 20 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 3 4 1 0 0 0 0 9 16 1 0 0 0 0 19 23 2 0 0 0 0 M END > (P1159632) P1159632 > (P1159632) 1 > (P1159632) 5 > (P1159632) 5 > (P1159632) 1.800000000000000e+000 > (P1159632) 3 > (P1159632) 8.190000000000001e+001 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 -3.8583 2.4833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.7208 1.2583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -3.8500 1.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8708 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 1.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 3.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2833 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9833 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9958 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -0.0125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 3 1 0 0 0 0 14 2 2 0 0 0 0 15 2 2 0 0 0 0 16 9 1 0 0 0 0 17 8 2 0 0 0 0 18 4 2 0 0 0 0 19 10 1 0 0 0 0 20 16 2 0 0 0 0 21 18 1 0 0 0 0 22 13 1 0 0 0 0 23 13 2 0 0 0 0 24 26 2 0 0 0 0 25 22 2 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 9 1 0 0 0 0 29 8 1 0 0 0 0 30 20 1 0 0 0 0 19 21 2 0 0 0 0 24 25 1 0 0 0 0 20 17 1 0 0 0 0 M END > (P1183159) P1183159 > (P1183159) 1 > (P1183159) 4 > (P1183159) 7 > (P1183159) 5.000000000000000e+000 > (P1183159) 3 > (P1183159) 1.253000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.4333 2.6000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3083 1.3583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5958 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 1.7833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4375 3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 1.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 3.9208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8625 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2917 0.1375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 1 2 0 0 0 0 14 1 2 0 0 0 0 15 2 2 0 0 0 0 16 2 2 0 0 0 0 17 4 1 0 0 0 0 18 5 2 0 0 0 0 19 12 1 0 0 0 0 20 18 1 0 0 0 0 21 17 1 0 0 0 0 22 17 2 0 0 0 0 23 25 2 0 0 0 0 24 21 2 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 7 1 0 0 0 0 28 8 1 0 0 0 0 19 20 2 0 0 0 0 23 24 1 0 0 0 0 9 6 1 0 0 0 0 M END > (P1183186) P1183186 > (P1183186) 1 > (P1183186) 5 > (P1183186) 7 > (P1183186) 2.400000000000000e+000 > (P1183186) 3 > (P1183186) 1.513000000000000e+002 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 2.2292 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.8333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0542 2.3958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7250 2.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7250 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 1.6958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 2.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 14 1 0 0 0 0 20 16 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 25 23 2 0 0 0 0 M END > (P1263363) P1263363 > (P1263363) 0 > (P1263363) 5 > (P1263363) 5 > (P1263363) 2.600000000000000e+000 > (P1263363) 3 > (P1263363) 1.008000000000000e+002 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 4.8625 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6875 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -0.6542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0917 -2.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -2.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -3.4917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 0.0583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1542 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 10 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 12 4 2 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 3 1 0 0 0 0 18 9 1 0 0 0 0 19 20 1 0 0 0 0 20 18 2 0 0 0 0 21 16 1 0 0 0 0 4 7 1 0 0 0 0 19 10 2 0 0 0 0 M CHG 2 5 1 13 -1 M END > (P1285066) P1285066 > (P1285066) 2 > (P1285066) 5 > (P1285066) 4 > (P1285066) 2.200000000000000e+000 > (P1285066) 2 > (P1285066) 1.283000000000000e+002 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 1.4167 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8500 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 17 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 5 1 0 0 0 0 16 4 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 19 9 2 0 0 0 0 20 9 1 0 0 0 0 21 14 1 0 0 0 0 22 13 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 4 2 2 0 0 0 0 18 12 2 0 0 0 0 M END > (P1285083) P1285083 > (P1285083) 1 > (P1285083) 6 > (P1285083) 7 > (P1285083) 1.400000000000000e+000 > (P1285083) 2 > (P1285083) 7.750000000000000e+001 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 8.2542 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -1.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2917 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 0.8333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 8 2 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 2 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 16 2 0 0 0 0 20 18 2 0 0 0 0 5 3 1 0 0 0 0 19 20 1 0 0 0 0 M END > (P1288129) P1288129 > (P1288129) 2 > (P1288129) 3 > (P1288129) 4 > (P1288129) 2.800000000000000e+000 > (P1288129) 2 > (P1288129) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 2.1292 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7042 2.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7042 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 2.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2375 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 0.9458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4750 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 2 0 0 0 0 12 7 2 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 M END > (P1290241) P1290241 > (P1290241) 1 > (P1290241) 4 > (P1290241) 4 > (P1290241) 1.400000000000000e+000 > (P1290241) 2 > (P1290241) 7.050000000000000e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 2.1542 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 2.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 1.8375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 0.4458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8042 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.8750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 8 1 0 0 0 0 11 6 2 0 0 0 0 12 7 2 0 0 0 0 13 9 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 8 9 1 0 0 0 0 7 5 1 0 0 0 0 22 23 2 0 0 0 0 M END > (P1290257) P1290257 > (P1290257) 0 > (P1290257) 4 > (P1290257) 4 > (P1290257) 2.300000000000000e+000 > (P1290257) 3 > (P1290257) 6.770000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 2.1292 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 2.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9250 2.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7042 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4667 0.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5375 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 18 1 0 0 0 0 9 6 1 0 0 0 0 8 5 1 0 0 0 0 M END > (P1292462) P1292462 > (P1292462) 1 > (P1292462) 4 > (P1292462) 5 > (P1292462) 2.200000000000000e+000 > (P1292462) 2 > (P1292462) 7.050000000000000e+001 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 2.1292 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7042 2.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7042 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 2.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1250 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 7 2 0 0 0 0 12 8 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 M END > (P1292603) P1292603 > (P1292603) 1 > (P1292603) 4 > (P1292603) 5 > (P1292603) 1.500000000000000e+000 > (P1292603) 2 > (P1292603) 7.050000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.8208 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -0.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -1.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 4 2 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 17 8 1 0 0 0 0 18 13 1 0 0 0 0 19 11 1 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 23 17 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 6 7 1 0 0 0 0 15 11 1 0 0 0 0 20 25 2 0 0 0 0 M END > (P1300834) P1300834 > (P1300834) 1 > (P1300834) 4 > (P1300834) 5 > (P1300834) 4.200000000000000e+000 > (P1300834) 3 > (P1300834) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 2.8417 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 13 2 2 0 0 0 0 14 8 1 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 8 2 0 0 0 0 19 10 1 0 0 0 0 20 14 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 13 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 18 25 1 0 0 0 0 9 17 2 0 0 0 0 10 12 1 0 0 0 0 M END > (P1300976) P1300976 > (P1300976) 1 > (P1300976) 3 > (P1300976) 6 > (P1300976) 4.400000000000000e+000 > (P1300976) 3 > (P1300976) 5.119999999999999e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.4875 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4875 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -2.2250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 3 2 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 13 2 0 0 0 0 16 5 1 0 0 0 0 17 16 2 0 0 0 0 18 7 2 0 0 0 0 19 17 1 0 0 0 0 20 8 1 0 0 0 0 21 10 2 0 0 0 0 22 12 1 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 11 19 2 0 0 0 0 21 24 1 0 0 0 0 12 15 1 0 0 0 0 M END > (P1300980) P1300980 > (P1300980) 1 > (P1300980) 3 > (P1300980) 4 > (P1300980) 3.600000000000000e+000 > (P1300980) 3 > (P1300980) 5.119999999999999e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 0.6125 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -2.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -1.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2167 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 1.8333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 17 12 1 0 0 0 0 18 22 2 0 0 0 0 19 18 1 0 0 0 0 20 17 1 0 0 0 0 21 17 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 10 1 0 0 0 0 25 11 1 0 0 0 0 26 15 1 0 0 0 0 27 25 1 0 0 0 0 6 5 1 0 0 0 0 10 15 1 0 0 0 0 23 18 1 0 0 0 0 M END > (P1301117) P1301117 > (P1301117) 1 > (P1301117) 4 > (P1301117) 6 > (P1301117) 4.900000000000000e+000 > (P1301117) 3 > (P1301117) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.2750 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -2.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 13 11 2 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 6 2 0 0 0 0 17 14 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 10 1 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 20 12 1 0 0 0 0 19 9 2 0 0 0 0 13 10 1 0 0 0 0 M END > (P1301560) P1301560 > (P1301560) 1 > (P1301560) 3 > (P1301560) 4 > (P1301560) 3.400000000000000e+000 > (P1301560) 3 > (P1301560) 5.119999999999999e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.4708 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -2.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -2.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0833 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 10 2 0 0 0 0 14 7 2 0 0 0 0 15 8 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 20 13 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 16 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 6 5 1 0 0 0 0 16 13 1 0 0 0 0 27 24 2 0 0 0 0 M END > (P1302196) P1302196 > (P1302196) 1 > (P1302196) 5 > (P1302196) 6 > (P1302196) 4.200000000000000e+000 > (P1302196) 3 > (P1302196) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 1.5167 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -2.3792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 5 2 0 0 0 0 17 16 1 0 0 0 0 18 7 2 0 0 0 0 19 17 2 0 0 0 0 20 8 1 0 0 0 0 21 10 2 0 0 0 0 22 12 1 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 19 11 1 0 0 0 0 24 21 1 0 0 0 0 15 12 2 0 0 0 0 M END > (P1302850) P1302850 > (P1302850) 1 > (P1302850) 3 > (P1302850) 4 > (P1302850) 4.100000000000000e+000 > (P1302850) 3 > (P1302850) 5.119999999999999e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 0.3667 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0708 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 11 1 0 0 0 0 14 17 1 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 5 2 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 6 1 0 0 0 0 23 10 1 0 0 0 0 24 14 1 0 0 0 0 25 24 1 0 0 0 0 14 18 2 0 0 0 0 21 9 1 0 0 0 0 13 10 2 0 0 0 0 M END > (P1302927) P1302927 > (P1302927) 1 > (P1302927) 3 > (P1302927) 5 > (P1302927) 4.300000000000000e+000 > (P1302927) 3 > (P1302927) 5.119999999999999e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 0.0667 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -2.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 4 1 0 0 0 0 12 8 2 0 0 0 0 13 3 1 0 0 0 0 14 11 2 0 0 0 0 15 14 1 0 0 0 0 16 5 2 0 0 0 0 17 6 2 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 8 1 0 0 0 0 21 18 2 0 0 0 0 22 19 2 0 0 0 0 23 9 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 22 11 1 0 0 0 0 21 12 1 0 0 0 0 15 13 2 0 0 0 0 M END > (P1302928) P1302928 > (P1302928) 1 > (P1302928) 3 > (P1302928) 4 > (P1302928) 4.400000000000000e+000 > (P1302928) 3 > (P1302928) 5.119999999999999e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 0.3625 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0750 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 0.6208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 18 2 0 0 0 0 14 11 2 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 17 1 0 0 0 0 19 16 2 0 0 0 0 20 5 1 0 0 0 0 21 20 2 0 0 0 0 22 6 1 0 0 0 0 23 21 1 0 0 0 0 24 10 1 0 0 0 0 25 22 1 0 0 0 0 13 19 1 0 0 0 0 9 23 2 0 0 0 0 10 14 1 0 0 0 0 M END > (P1303840) P1303840 > (P1303840) 1 > (P1303840) 3 > (P1303840) 5 > (P1303840) 4.100000000000000e+000 > (P1303840) 3 > (P1303840) 5.119999999999999e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 0.4875 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 1.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 9 2 0 0 0 0 12 7 2 0 0 0 0 13 16 2 0 0 0 0 14 8 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 20 10 2 0 0 0 0 21 20 1 0 0 0 0 22 11 1 0 0 0 0 23 21 2 0 0 0 0 24 19 1 0 0 0 0 25 18 1 0 0 0 0 26 24 1 0 0 0 0 6 5 1 0 0 0 0 13 11 1 0 0 0 0 17 23 1 0 0 0 0 M END > (P1304630) P1304630 > (P1304630) 1 > (P1304630) 5 > (P1304630) 6 > (P1304630) 3.700000000000000e+000 > (P1304630) 3 > (P1304630) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 0.1417 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -0.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9792 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -1.6625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 10 2 0 0 0 0 14 7 2 0 0 0 0 15 18 2 0 0 0 0 16 8 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 15 1 0 0 0 0 21 13 1 0 0 0 0 22 11 2 0 0 0 0 23 12 1 0 0 0 0 24 17 2 0 0 0 0 25 20 1 0 0 0 0 26 22 1 0 0 0 0 27 26 2 0 0 0 0 6 5 1 0 0 0 0 15 13 1 0 0 0 0 24 27 1 0 0 0 0 M END > (P1304854) P1304854 > (P1304854) 1 > (P1304854) 5 > (P1304854) 6 > (P1304854) 3.900000000000000e+000 > (P1304854) 3 > (P1304854) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 0.8042 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 9 2 0 0 0 0 12 7 2 0 0 0 0 13 16 2 0 0 0 0 14 8 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 20 10 2 0 0 0 0 21 20 1 0 0 0 0 22 11 1 0 0 0 0 23 21 2 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 24 1 0 0 0 0 29 27 1 0 0 0 0 6 5 1 0 0 0 0 13 11 1 0 0 0 0 17 23 1 0 0 0 0 M END > (P1304875) P1304875 > (P1304875) 1 > (P1304875) 5 > (P1304875) 9 > (P1304875) 5.000000000000000e+000 > (P1304875) 3 > (P1304875) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 3.0542 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -1.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -3.6375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 12 2 0 0 0 0 11 2 2 0 0 0 0 12 9 1 0 0 0 0 13 6 2 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 8 1 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 18 2 0 0 0 0 24 20 2 0 0 0 0 25 19 1 0 0 0 0 26 24 1 0 0 0 0 10 7 1 0 0 0 0 17 22 2 0 0 0 0 25 26 2 0 0 0 0 M END > (P1305117) P1305117 > (P1305117) 1 > (P1305117) 5 > (P1305117) 5 > (P1305117) 4.400000000000000e+000 > (P1305117) 3 > (P1305117) 9.729999999999998e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 2.7292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -0.9750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.5792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -2.6542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 12 1 0 0 0 0 9 7 1 0 0 0 0 10 4 2 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 5 2 0 0 0 0 14 9 2 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 9 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 2 8 2 0 0 0 0 19 24 2 0 0 0 0 M END > (P1305124) P1305124 > (P1305124) 1 > (P1305124) 6 > (P1305124) 6 > (P1305124) 2.700000000000000e+000 > (P1305124) 2 > (P1305124) 1.066000000000000e+002 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 2.5417 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -1.6417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -3.3292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 2 0 0 0 0 7 10 2 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 6 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 15 2 0 0 0 0 22 21 1 0 0 0 0 5 7 1 0 0 0 0 16 22 2 0 0 0 0 M END > (P1305135) P1305135 > (P1305135) 1 > (P1305135) 5 > (P1305135) 6 > (P1305135) 3.800000000000000e+000 > (P1305135) 2 > (P1305135) 8.940000000000001e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.1375 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 1.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -0.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9792 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 10 2 0 0 0 0 14 7 2 0 0 0 0 15 18 2 0 0 0 0 16 8 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 13 1 0 0 0 0 22 11 2 0 0 0 0 23 12 1 0 0 0 0 24 17 2 0 0 0 0 25 20 1 0 0 0 0 26 19 1 0 0 0 0 27 22 1 0 0 0 0 28 27 2 0 0 0 0 6 5 1 0 0 0 0 15 13 1 0 0 0 0 24 28 1 0 0 0 0 M END > (P1305223) P1305223 > (P1305223) 1 > (P1305223) 6 > (P1305223) 7 > (P1305223) 3.700000000000000e+000 > (P1305223) 3 > (P1305223) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.4917 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6500 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 0.8083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 18 2 0 0 0 0 14 21 2 0 0 0 0 15 12 1 0 0 0 0 16 7 2 0 0 0 0 17 20 2 0 0 0 0 18 15 1 0 0 0 0 19 8 2 0 0 0 0 20 19 1 0 0 0 0 21 22 1 0 0 0 0 22 15 2 0 0 0 0 23 14 1 0 0 0 0 24 17 1 0 0 0 0 25 10 1 0 0 0 0 26 13 1 0 0 0 0 27 11 1 0 0 0 0 28 24 1 0 0 0 0 6 5 1 0 0 0 0 17 10 1 0 0 0 0 13 14 1 0 0 0 0 M END > (P1305226) P1305226 > (P1305226) 1 > (P1305226) 5 > (P1305226) 6 > (P1305226) 4.800000000000000e+000 > (P1305226) 3 > (P1305226) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -0.2500 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5917 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 10 2 0 0 0 0 14 7 2 0 0 0 0 15 18 2 0 0 0 0 16 8 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 13 1 0 0 0 0 22 11 2 0 0 0 0 23 12 1 0 0 0 0 24 17 2 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 25 1 0 0 0 0 28 22 1 0 0 0 0 29 28 2 0 0 0 0 6 5 1 0 0 0 0 15 13 1 0 0 0 0 24 29 1 0 0 0 0 M END > (P1305442) P1305442 > (P1305442) 1 > (P1305442) 6 > (P1305442) 8 > (P1305442) 4.000000000000000e+000 > (P1305442) 3 > (P1305442) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -0.2458 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -0.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5917 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -1.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 10 2 0 0 0 0 14 7 2 0 0 0 0 15 18 2 0 0 0 0 16 8 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 15 1 0 0 0 0 21 13 1 0 0 0 0 22 11 2 0 0 0 0 23 12 1 0 0 0 0 24 17 2 0 0 0 0 25 20 1 0 0 0 0 26 25 1 0 0 0 0 27 22 1 0 0 0 0 28 27 2 0 0 0 0 6 5 1 0 0 0 0 15 13 1 0 0 0 0 24 28 1 0 0 0 0 M END > (P1306169) P1306169 > (P1306169) 1 > (P1306169) 5 > (P1306169) 7 > (P1306169) 4.700000000000000e+000 > (P1306169) 3 > (P1306169) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 4.4292 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -6.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -5.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -5.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -7.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -5.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -8.1250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 7 2 0 0 0 0 12 3 2 0 0 0 0 13 17 2 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 4 2 0 0 0 0 17 12 1 0 0 0 0 18 20 2 0 0 0 0 19 10 2 0 0 0 0 20 19 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 15 1 0 0 0 0 24 18 1 0 0 0 0 25 21 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 28 1 0 0 0 0 8 9 1 0 0 0 0 15 18 1 0 0 0 0 13 11 1 0 0 0 0 M END > (P1306894) P1306894 > (P1306894) 1 > (P1306894) 8 > (P1306894) 8 > (P1306894) 4.200000000000000e+000 > (P1306894) 3 > (P1306894) 1.376000000000000e+002 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.7625 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -1.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 -1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8500 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 2.7750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1708 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6583 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3208 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 16 2 0 0 0 0 15 8 2 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 18 22 2 0 0 0 0 19 18 1 0 0 0 0 20 17 1 0 0 0 0 21 17 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 10 1 0 0 0 0 25 11 1 0 0 0 0 26 14 1 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 5 6 1 0 0 0 0 10 14 1 0 0 0 0 23 18 1 0 0 0 0 28 27 1 0 0 0 0 M END > (P1306955) P1306955 > (P1306955) 1 > (P1306955) 4 > (P1306955) 5 > (P1306955) 4.900000000000000e+000 > (P1306955) 4 > (P1306955) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 0.5292 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 0.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -1.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6125 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7500 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 14 20 2 0 0 0 0 15 18 2 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 17 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 10 1 0 0 0 0 25 15 1 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 13 1 0 0 0 0 29 11 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 5 6 1 0 0 0 0 15 10 1 0 0 0 0 19 14 1 0 0 0 0 M END > (P1308320) P1308320 > (P1308320) 1 > (P1308320) 6 > (P1308320) 8 > (P1308320) 4.600000000000000e+000 > (P1308320) 3 > (P1308320) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 0.1250 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0208 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 0.8083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 16 2 0 0 0 0 15 8 2 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 18 22 2 0 0 0 0 19 18 1 0 0 0 0 20 17 1 0 0 0 0 21 17 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 14 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 6 5 1 0 0 0 0 14 10 1 0 0 0 0 23 18 1 0 0 0 0 M END > (P1308494) P1308494 > (P1308494) 1 > (P1308494) 5 > (P1308494) 8 > (P1308494) 4.800000000000000e+000 > (P1308494) 3 > (P1308494) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 3.1625 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -2.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8000 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 13 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 15 18 2 0 0 0 0 16 8 2 0 0 0 0 17 11 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 12 1 0 0 0 0 21 11 1 0 0 0 0 22 13 1 0 0 0 0 23 15 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 2 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 5 6 1 0 0 0 0 12 15 1 0 0 0 0 28 26 1 0 0 0 0 24 29 2 0 0 0 0 M END > (P1308627) P1308627 > (P1308627) 1 > (P1308627) 5 > (P1308627) 6 > (P1308627) 4.700000000000000e+000 > (P1308627) 4 > (P1308627) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 0.7167 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -2.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -3.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -3.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 9 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 14 2 0 0 0 0 17 13 1 0 0 0 0 18 15 2 0 0 0 0 19 17 2 0 0 0 0 20 6 2 0 0 0 0 21 23 2 0 0 0 0 22 13 2 0 0 0 0 23 22 1 0 0 0 0 24 5 1 0 0 0 0 25 19 1 0 0 0 0 26 21 1 0 0 0 0 27 16 1 0 0 0 0 28 18 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 11 12 1 0 0 0 0 7 8 2 0 0 0 0 19 21 1 0 0 0 0 18 16 1 0 0 0 0 M END > (P1309227) P1309227 > (P1309227) 1 > (P1309227) 5 > (P1309227) 5 > (P1309227) 4.900000000000000e+000 > (P1309227) 4 > (P1309227) 9.960000000000002e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 4.6125 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -3.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3292 -2.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8875 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -4.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -4.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -3.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 5 2 0 0 0 0 15 10 2 0 0 0 0 16 13 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 19 10 1 0 0 0 0 20 13 2 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 16 2 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 0 0 0 0 2 3 1 0 0 0 0 12 8 1 0 0 0 0 26 21 2 0 0 0 0 27 23 1 0 0 0 0 M END > (P1443206) P1443206 > (P1443206) 2 > (P1443206) 4 > (P1443206) 3 > (P1443206) 3.400000000000000e+000 > (P1443206) 4 > (P1443206) 7.180000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 2.3042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -3.1875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2250 -2.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8375 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -3.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -4.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -3.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 18 5 1 0 0 0 0 19 16 1 0 0 0 0 20 10 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 17 1 0 0 0 0 24 17 2 0 0 0 0 25 19 2 0 0 0 0 26 19 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 26 2 0 0 0 0 30 23 2 0 0 0 0 31 27 2 0 0 0 0 32 29 1 0 0 0 0 2 3 1 0 0 0 0 8 11 1 0 0 0 0 22 15 2 0 0 0 0 30 31 1 0 0 0 0 32 28 2 0 0 0 0 M END > (P1444183) P1444183 > (P1444183) 2 > (P1444183) 5 > (P1444183) 5 > (P1444183) 3.900000000000000e+000 > (P1444183) 5 > (P1444183) 8.110000000000001e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 3.9750 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4417 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7292 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -3.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 10 2 0 0 0 0 14 5 2 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 6 2 0 0 0 0 19 16 1 0 0 0 0 20 7 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 19 1 0 0 0 0 24 19 2 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 4 3 1 0 0 0 0 15 17 2 0 0 0 0 13 9 1 0 0 0 0 24 26 1 0 0 0 0 M END > (P1568068) P1568068 > (P1568068) 2 > (P1568068) 4 > (P1568068) 3 > (P1568068) 2.200000000000000e+000 > (P1568068) 4 > (P1568068) 8.500000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 2.0292 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -2.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8625 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -2.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -3.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 12 4 2 0 0 0 0 13 8 2 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 18 3 1 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 6 4 1 0 0 0 0 14 11 1 0 0 0 0 M END > (P1580811) P1580811 > (P1580811) 2 > (P1580811) 5 > (P1580811) 5 > (P1580811) 2.300000000000000e+000 > (P1580811) 2 > (P1580811) 1.009000000000000e+002 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 3.6875 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -4.6625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 7 2 0 0 0 0 15 13 2 0 0 0 0 16 7 1 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 6 4 1 0 0 0 0 10 12 2 0 0 0 0 M END > (P1581424) P1581424 > (P1581424) 3 > (P1581424) 5 > (P1581424) 6 > (P1581424) 2.800000000000000e+000 > (P1581424) 2 > (P1581424) 1.119000000000000e+002 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.7958 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7958 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -2.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -2.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.0750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 10 1 0 0 0 0 17 12 1 0 0 0 0 18 15 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 4 6 1 0 0 0 0 16 20 2 0 0 0 0 M END > (P1582321) P1582321 > (P1582321) 2 > (P1582321) 3 > (P1582321) 4 > (P1582321) 3.400000000000000e+000 > (P1582321) 2 > (P1582321) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 0.0917 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -0.5750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8125 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -1.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -2.6417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 10 1 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 19 15 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 4 6 1 0 0 0 0 21 16 2 0 0 0 0 M END > (P1583781) P1583781 > (P1583781) 2 > (P1583781) 4 > (P1583781) 5 > (P1583781) 2.700000000000000e+000 > (P1583781) 2 > (P1583781) 9.170000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 3.7750 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -3.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6000 -3.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3375 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -5.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -3.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 10 2 0 0 0 0 15 5 2 0 0 0 0 16 13 1 0 0 0 0 17 6 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 13 2 0 0 0 0 21 16 2 0 0 0 0 22 18 2 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 27 22 1 0 0 0 0 28 23 2 0 0 0 0 29 28 1 0 0 0 0 3 2 1 0 0 0 0 8 12 1 0 0 0 0 26 21 1 0 0 0 0 27 29 2 0 0 0 0 M END > (P1585211) P1585211 > (P1585211) 2 > (P1585211) 5 > (P1585211) 5 > (P1585211) 2.700000000000000e+000 > (P1585211) 4 > (P1585211) 8.110000000000001e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 4.0500 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8792 -3.8750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6167 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -5.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -5.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -4.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -3.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 10 2 0 0 0 0 15 5 2 0 0 0 0 16 13 1 0 0 0 0 17 6 1 0 0 0 0 18 14 1 0 0 0 0 19 13 2 0 0 0 0 20 16 1 0 0 0 0 21 16 2 0 0 0 0 22 18 2 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 24 2 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 3 2 1 0 0 0 0 8 12 1 0 0 0 0 21 25 1 0 0 0 0 27 28 2 0 0 0 0 M END > (P1585346) P1585346 > (P1585346) 2 > (P1585346) 4 > (P1585346) 4 > (P1585346) 3.300000000000000e+000 > (P1585346) 4 > (P1585346) 7.180000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 4.8792 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -3.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6042 -2.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1417 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -4.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -4.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -2.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 10 2 0 0 0 0 15 13 1 0 0 0 0 16 5 2 0 0 0 0 17 15 2 0 0 0 0 18 13 2 0 0 0 0 19 22 2 0 0 0 0 20 6 1 0 0 0 0 21 14 1 0 0 0 0 22 18 1 0 0 0 0 23 15 1 0 0 0 0 24 19 1 0 0 0 0 25 21 2 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 3 2 1 0 0 0 0 8 12 1 0 0 0 0 19 17 1 0 0 0 0 28 29 2 0 0 0 0 M END > (P1585484) P1585484 > (P1585484) 2 > (P1585484) 4 > (P1585484) 4 > (P1585484) 3.700000000000000e+000 > (P1585484) 4 > (P1585484) 7.180000000000000e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 5.4792 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4542 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2667 -3.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -3.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 10 2 0 0 0 0 18 11 1 0 0 0 0 19 14 1 0 0 0 0 20 8 1 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 19 2 0 0 0 0 25 24 1 0 0 0 0 26 23 2 0 0 0 0 27 25 2 0 0 0 0 11 5 1 0 0 0 0 9 8 1 0 0 0 0 15 16 2 0 0 0 0 27 26 1 0 0 0 0 M END > (P1594274) P1594274 > (P1594274) 2 > (P1594274) 5 > (P1594274) 4 > (P1594274) 2.800000000000000e+000 > (P1594274) 4 > (P1594274) 1.103000000000000e+002 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.8958 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 2.8500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.4500 3.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0875 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 1.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 3.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 3.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 4.2292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 5 2 0 0 0 0 15 10 1 0 0 0 0 16 13 2 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 19 10 2 0 0 0 0 20 16 1 0 0 0 0 21 13 1 0 0 0 0 22 15 2 0 0 0 0 23 16 1 0 0 0 0 24 20 1 0 0 0 0 25 19 1 0 0 0 0 26 21 2 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 2 3 1 0 0 0 0 8 12 1 0 0 0 0 22 27 1 0 0 0 0 28 23 2 0 0 0 0 M END > (P1597292) P1597292 > (P1597292) 2 > (P1597292) 5 > (P1597292) 4 > (P1597292) 2.500000000000000e+000 > (P1597292) 4 > (P1597292) 8.110000000000001e+001 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 0.4542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 8 1 0 0 0 0 18 7 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 10 1 0 0 0 0 22 9 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 10 2 0 0 0 0 26 22 1 0 0 0 0 27 26 2 0 0 0 0 5 2 2 0 0 0 0 27 25 1 0 0 0 0 M END > (P1661877) P1661877 > (P1661877) 1 > (P1661877) 5 > (P1661877) 9 > (P1661877) 3.800000000000000e+000 > (P1661877) 2 > (P1661877) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 0.9417 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -1.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 2.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5500 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 16 2 0 0 0 0 15 8 2 0 0 0 0 16 15 1 0 0 0 0 17 3 1 0 0 0 0 18 11 1 0 0 0 0 19 14 1 0 0 0 0 20 9 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 5 7 1 0 0 0 0 14 11 1 0 0 0 0 M END > (P1662060) P1662060 > (P1662060) 3 > (P1662060) 5 > (P1662060) 6 > (P1662060) 3.200000000000000e+000 > (P1662060) 2 > (P1662060) 1.119000000000000e+002 $$$$ -ISIS- 08092202382D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.8500 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3250 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 1.4083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -2.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 3 1 0 0 0 0 17 9 1 0 0 0 0 18 15 1 0 0 0 0 5 7 1 0 0 0 0 13 12 2 0 0 0 0 M END > (P1662061) P1662061 > (P1662061) 2 > (P1662061) 3 > (P1662061) 3 > (P1662061) 2.700000000000000e+000 > (P1662061) 2 > (P1662061) 1.107000000000000e+002 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.9625 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9625 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.9458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.9625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 10 1 0 0 0 0 20 22 1 0 0 0 0 21 10 1 0 0 0 0 22 11 2 0 0 0 0 23 15 1 0 0 0 0 24 14 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 2 5 2 0 0 0 0 21 20 2 0 0 0 0 M END > (P1662538) P1662538 > (P1662538) 1 > (P1662538) 5 > (P1662538) 7 > (P1662538) 3.400000000000000e+000 > (P1662538) 2 > (P1662538) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 0.1292 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7625 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 3.0208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1000 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 3.1458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5500 3.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 11 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 12 1 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 15 9 2 0 0 0 0 16 10 2 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 8 1 0 0 0 0 22 23 1 0 0 0 0 23 21 2 0 0 0 0 24 17 1 0 0 0 0 25 18 1 0 0 0 0 2 4 2 0 0 0 0 22 11 2 0 0 0 0 M CHG 2 7 1 13 -1 M END > (P1662615) P1662615 > (P1662615) 1 > (P1662615) 7 > (P1662615) 6 > (P1662615) 1.800000000000000e+000 > (P1662615) 2 > (P1662615) 1.105000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -0.5458 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4625 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 2.0083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9583 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -2.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 1.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 10 1 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 1 2 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 7 1 0 0 0 0 17 12 2 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 13 2 0 0 0 0 21 17 1 0 0 0 0 22 14 1 0 0 0 0 23 13 1 0 0 0 0 24 8 1 0 0 0 0 25 9 1 0 0 0 0 26 16 2 0 0 0 0 27 16 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 26 1 0 0 0 0 31 27 2 0 0 0 0 32 31 1 0 0 0 0 7 6 1 0 0 0 0 9 11 1 0 0 0 0 21 18 2 0 0 0 0 30 32 2 0 0 0 0 M END > (P1662616) P1662616 > (P1662616) 1 > (P1662616) 6 > (P1662616) 7 > (P1662616) 4.000000000000000e+000 > (P1662616) 4 > (P1662616) 1.107000000000000e+002 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.9833 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9833 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3000 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 16 2 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 8 1 0 0 0 0 19 7 1 0 0 0 0 20 5 1 0 0 0 0 21 4 1 0 0 0 0 22 10 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 2 5 2 0 0 0 0 17 11 1 0 0 0 0 M END > (P1662620) P1662620 > (P1662620) 1 > (P1662620) 5 > (P1662620) 6 > (P1662620) 3.300000000000000e+000 > (P1662620) 2 > (P1662620) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 0.4667 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0792 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.6458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 11 1 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 18 5 1 0 0 0 0 19 4 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 2 4 2 0 0 0 0 15 12 2 0 0 0 0 M END > (P1662623) P1662623 > (P1662623) 1 > (P1662623) 5 > (P1662623) 7 > (P1662623) 2.300000000000000e+000 > (P1662623) 2 > (P1662623) 9.290000000000001e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 -1.9250 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9250 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 1.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 5 1 0 0 0 0 17 4 1 0 0 0 0 18 20 2 0 0 0 0 19 12 2 0 0 0 0 20 13 1 0 0 0 0 21 18 1 0 0 0 0 22 15 1 0 0 0 0 23 14 1 0 0 0 0 2 5 2 0 0 0 0 19 18 1 0 0 0 0 M END > (P1662723) P1662723 > (P1662723) 2 > (P1662723) 6 > (P1662723) 5 > (P1662723) 1.600000000000000e+000 > (P1662723) 2 > (P1662723) 8.490000000000002e+001 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 2.7917 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5792 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -2.5792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -3.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 7 2 0 0 0 0 15 13 2 0 0 0 0 16 7 1 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 4 6 1 0 0 0 0 10 12 2 0 0 0 0 M END > (P1665303) P1665303 > (P1665303) 3 > (P1665303) 5 > (P1665303) 4 > (P1665303) 2.100000000000000e+000 > (P1665303) 2 > (P1665303) 1.119000000000000e+002 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 2.8042 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.5917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -2.4167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 1.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0792 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 16 1 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 11 1 0 0 0 0 18 3 1 0 0 0 0 19 14 1 0 0 0 0 20 9 1 0 0 0 0 21 20 1 0 0 0 0 22 20 1 0 0 0 0 5 7 1 0 0 0 0 14 11 2 0 0 0 0 M END > (P1665306) P1665306 > (P1665306) 2 > (P1665306) 3 > (P1665306) 4 > (P1665306) 4.400000000000000e+000 > (P1665306) 2 > (P1665306) 8.240000000000001e+001 $$$$ -ISIS- 08092202382D 19 20 0 0 0 0 0 0 0 0999 V2000 0.5375 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -2.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -2.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -1.5542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -3.6792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9542 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 3 1 0 0 0 0 17 9 1 0 0 0 0 18 17 1 0 0 0 0 19 17 1 0 0 0 0 5 7 1 0 0 0 0 14 15 2 0 0 0 0 M END > (P1665673) P1665673 > (P1665673) 2 > (P1665673) 3 > (P1665673) 4 > (P1665673) 2.900000000000000e+000 > (P1665673) 2 > (P1665673) 1.107000000000000e+002 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 3.8250 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 7 2 0 0 0 0 16 10 2 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 19 2 0 0 0 0 4 6 1 0 0 0 0 21 16 1 0 0 0 0 M END > (P1668240) P1668240 > (P1668240) 2 > (P1668240) 4 > (P1668240) 5 > (P1668240) 1.400000000000000e+000 > (P1668240) 2 > (P1668240) 7.670000000000000e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 0.5250 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3167 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -0.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -0.6917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 15 1 0 0 0 0 23 14 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 5 2 2 0 0 0 0 13 21 2 0 0 0 0 M END > (P1668519) P1668519 > (P1668519) 1 > (P1668519) 5 > (P1668519) 7 > (P1668519) 3.200000000000000e+000 > (P1668519) 2 > (P1668519) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 0.4542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -2.1667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -1.4875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 16 2 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 13 1 0 0 0 0 17 28 1 0 0 0 0 18 27 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 21 11 1 0 0 0 0 22 9 1 0 0 0 0 23 8 1 0 0 0 0 24 5 1 0 0 0 0 25 4 1 0 0 0 0 26 12 1 0 0 0 0 27 23 1 0 0 0 0 28 22 1 0 0 0 0 2 5 2 0 0 0 0 11 12 1 0 0 0 0 M END > (P1668524) P1668524 > (P1668524) 1 > (P1668524) 5 > (P1668524) 9 > (P1668524) 4.400000000000000e+000 > (P1668524) 2 > (P1668524) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.6250 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -2.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6250 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -3.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 16 1 0 0 0 0 14 9 2 0 0 0 0 15 8 2 0 0 0 0 16 12 2 0 0 0 0 17 9 1 0 0 0 0 18 8 1 0 0 0 0 19 4 1 0 0 0 0 20 5 1 0 0 0 0 21 11 1 0 0 0 0 22 13 1 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 24 1 0 0 0 0 27 23 1 0 0 0 0 5 2 2 0 0 0 0 13 11 2 0 0 0 0 M END > (P1668841) P1668841 > (P1668841) 2 > (P1668841) 7 > (P1668841) 8 > (P1668841) 2.300000000000000e+000 > (P1668841) 2 > (P1668841) 9.410000000000002e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 0.1292 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7542 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 2.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 16 1 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 13 2 0 0 0 0 17 11 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 4 1 0 0 0 0 21 5 1 0 0 0 0 22 12 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 4 2 2 0 0 0 0 11 12 2 0 0 0 0 M END > (P1668850) P1668850 > (P1668850) 1 > (P1668850) 5 > (P1668850) 5 > (P1668850) 3.200000000000000e+000 > (P1668850) 2 > (P1668850) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -0.6458 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.5375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 0.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0833 -0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 1.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6708 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9458 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6708 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 14 1 0 0 0 0 19 10 2 0 0 0 0 20 11 1 0 0 0 0 21 14 2 0 0 0 0 22 15 1 0 0 0 0 23 18 1 0 0 0 0 24 16 1 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 19 1 0 0 0 0 28 27 2 0 0 0 0 6 4 2 0 0 0 0 24 25 1 0 0 0 0 28 21 1 0 0 0 0 M END > (P1670159) P1670159 > (P1670159) 2 > (P1670159) 4 > (P1670159) 7 > (P1670159) 3.600000000000000e+000 > (P1670159) 3 > (P1670159) 1.049000000000000e+002 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 1.4667 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8917 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 1.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 2.7833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 0.1583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 18 2 0 0 0 0 15 2 1 0 0 0 0 16 14 1 0 0 0 0 17 11 2 0 0 0 0 18 12 1 0 0 0 0 19 16 1 0 0 0 0 20 13 1 0 0 0 0 5 4 1 0 0 0 0 17 14 1 0 0 0 0 M END > (P1671272) P1671272 > (P1671272) 2 > (P1671272) 4 > (P1671272) 4 > (P1671272) 2.900000000000000e+000 > (P1671272) 2 > (P1671272) 1.078000000000000e+002 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 1.1667 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3000 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 17 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 7 1 0 0 0 0 19 2 1 0 0 0 0 20 8 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 4 5 1 0 0 0 0 11 16 2 0 0 0 0 M END > (P1671365) P1671365 > (P1671365) 2 > (P1671365) 5 > (P1671365) 5 > (P1671365) 2.200000000000000e+000 > (P1671365) 2 > (P1671365) 1.088000000000000e+002 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 1.2667 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0667 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -2.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 4 2 0 0 0 0 12 15 2 0 0 0 0 13 8 2 0 0 0 0 14 7 2 0 0 0 0 15 13 1 0 0 0 0 16 22 1 0 0 0 0 17 16 2 0 0 0 0 18 7 1 0 0 0 0 19 3 1 0 0 0 0 20 10 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 18 1 0 0 0 0 24 20 1 0 0 0 0 4 6 1 0 0 0 0 12 10 1 0 0 0 0 M END > (P1671381) P1671381 > (P1671381) 2 > (P1671381) 5 > (P1671381) 7 > (P1671381) 2.900000000000000e+000 > (P1671381) 2 > (P1671381) 1.009000000000000e+002 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.0458 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 0.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6792 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 2.3458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 8 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 4 6 1 0 0 0 0 18 13 1 0 0 0 0 M END > (P1672222) P1672222 > (P1672222) 2 > (P1672222) 4 > (P1672222) 4 > (P1672222) 2.300000000000000e+000 > (P1672222) 2 > (P1672222) 9.170000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 -0.0458 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 0.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0458 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 2.3458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -1.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8708 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 11 1 0 0 0 0 11 16 2 0 0 0 0 12 7 2 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 7 1 0 0 0 0 18 2 1 0 0 0 0 19 10 1 0 0 0 0 20 10 1 0 0 0 0 21 10 1 0 0 0 0 22 17 1 0 0 0 0 5 4 1 0 0 0 0 11 15 1 0 0 0 0 M END > (P1672226) P1672226 > (P1672226) 2 > (P1672226) 3 > (P1672226) 4 > (P1672226) 3.800000000000000e+000 > (P1672226) 2 > (P1672226) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 9.3125 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 -4.5417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6125 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -3.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -4.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1667 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -5.8542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7875 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 18 1 0 0 0 0 20 10 2 0 0 0 0 21 11 1 0 0 0 0 22 14 2 0 0 0 0 23 15 1 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 6 4 2 0 0 0 0 16 19 1 0 0 0 0 25 22 1 0 0 0 0 M END > (P1672544) P1672544 > (P1672544) 1 > (P1672544) 4 > (P1672544) 6 > (P1672544) 3.700000000000000e+000 > (P1672544) 3 > (P1672544) 9.290000000000001e+001 $$$$ -ISIS- 08092202382D 19 20 0 0 0 0 0 0 0 0999 V2000 6.5500 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -0.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3667 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 0.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 1.3958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 0.6458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 7 2 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 4 6 1 0 0 0 0 19 16 1 0 0 0 0 M END > (P1672649) P1672649 > (P1672649) 2 > (P1672649) 3 > (P1672649) 3 > (P1672649) 2.600000000000000e+000 > (P1672649) 2 > (P1672649) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 19 20 0 0 0 0 0 0 0 0999 V2000 6.5500 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -0.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3667 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 0.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 1.3958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 0.0333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 7 2 0 0 0 0 12 10 2 0 0 0 0 13 7 1 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 8 2 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 13 1 0 0 0 0 6 4 1 0 0 0 0 12 18 1 0 0 0 0 M END > (P1672654) P1672654 > (P1672654) 2 > (P1672654) 3 > (P1672654) 3 > (P1672654) 3.100000000000000e+000 > (P1672654) 2 > (P1672654) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 6.7417 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -0.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1875 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 1.4333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.3167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 16 1 0 0 0 0 15 2 1 0 0 0 0 16 12 2 0 0 0 0 17 11 1 0 0 0 0 18 14 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 5 4 1 0 0 0 0 14 17 2 0 0 0 0 M END > (P1672662) P1672662 > (P1672662) 2 > (P1672662) 3 > (P1672662) 4 > (P1672662) 2.900000000000000e+000 > (P1672662) 2 > (P1672662) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.0333 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -0.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 0.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8083 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 2.0875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1875 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7958 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 5 2 0 0 0 0 14 6 1 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 12 2 0 0 0 0 21 19 2 0 0 0 0 22 20 1 0 0 0 0 22 16 2 0 0 0 0 15 21 1 0 0 0 0 M END > (P1672821) P1672821 > (P1672821) 1 > (P1672821) 3 > (P1672821) 6 > (P1672821) 3.500000000000000e+000 > (P1672821) 2 > (P1672821) 4.759999999999999e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 1.8000 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -0.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0875 3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 3 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 2 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 8 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 5 6 1 0 0 0 0 16 17 2 0 0 0 0 M END > (P1672837) P1672837 > (P1672837) 2 > (P1672837) 3 > (P1672837) 5 > (P1672837) 4.000000000000000e+000 > (P1672837) 2 > (P1672837) 8.240000000000001e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 0.7750 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7750 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -1.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -3.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.9208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0833 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 6 2 0 0 0 0 13 4 2 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 3 1 0 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 19 11 1 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 20 1 0 0 0 0 5 8 1 0 0 0 0 17 14 1 0 0 0 0 M END > (P1672839) P1672839 > (P1672839) 2 > (P1672839) 4 > (P1672839) 5 > (P1672839) 3.800000000000000e+000 > (P1672839) 2 > (P1672839) 9.170000000000000e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.0708 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -1.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0708 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -3.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -3.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 0.7708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9250 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 16 3 1 0 0 0 0 17 12 1 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 20 10 1 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 21 1 0 0 0 0 7 4 1 0 0 0 0 14 18 1 0 0 0 0 M END > (P1672840) P1672840 > (P1672840) 2 > (P1672840) 4 > (P1672840) 6 > (P1672840) 4.300000000000000e+000 > (P1672840) 2 > (P1672840) 9.170000000000000e+001 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 5.3417 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -4.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3417 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -6.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -5.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -6.4542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -2.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 7 2 0 0 0 0 15 13 2 0 0 0 0 16 10 1 0 0 0 0 17 7 1 0 0 0 0 18 3 1 0 0 0 0 19 12 1 0 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 6 4 1 0 0 0 0 10 12 2 0 0 0 0 M END > (P1672858) P1672858 > (P1672858) 2 > (P1672858) 3 > (P1672858) 4 > (P1672858) 4.000000000000000e+000 > (P1672858) 2 > (P1672858) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 4.1042 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1042 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -4.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -3.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -4.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 12 4 2 0 0 0 0 13 8 2 0 0 0 0 14 16 2 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 8 1 0 0 0 0 18 3 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 4 6 1 0 0 0 0 14 11 1 0 0 0 0 M END > (P1672867) P1672867 > (P1672867) 2 > (P1672867) 3 > (P1672867) 4 > (P1672867) 4.000000000000000e+000 > (P1672867) 2 > (P1672867) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 19 20 0 0 0 0 0 0 0 0999 V2000 3.0792 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8792 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -3.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -3.7375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.2875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8500 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 7 1 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 13 1 0 0 0 0 19 18 1 0 0 0 0 5 4 1 0 0 0 0 11 12 2 0 0 0 0 M END > (P1674568) P1674568 > (P1674568) 2 > (P1674568) 3 > (P1674568) 4 > (P1674568) 2.900000000000000e+000 > (P1674568) 2 > (P1674568) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 3.5750 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7083 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 0.6833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 2 2 0 0 0 0 15 5 2 0 0 0 0 16 6 1 0 0 0 0 17 5 1 0 0 0 0 18 1 2 0 0 0 0 19 4 2 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 11 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 24 2 0 0 0 0 25 19 1 0 0 0 0 6 7 2 0 0 0 0 M END > (P1674644) P1674644 > (P1674644) 1 > (P1674644) 4 > (P1674644) 6 > (P1674644) 4.400000000000000e+000 > (P1674644) 2 > (P1674644) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 2.7417 -2.0750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0417 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -2.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8167 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 3 2 0 0 0 0 13 2 2 0 0 0 0 14 4 2 0 0 0 0 15 11 2 0 0 0 0 16 7 1 0 0 0 0 17 11 1 0 0 0 0 18 8 2 0 0 0 0 19 6 2 0 0 0 0 20 5 2 0 0 0 0 21 10 2 0 0 0 0 22 16 1 0 0 0 0 23 16 1 0 0 0 0 24 17 1 0 0 0 0 25 28 2 0 0 0 0 26 19 1 0 0 0 0 27 20 1 0 0 0 0 28 21 1 0 0 0 0 5 6 1 0 0 0 0 27 26 2 0 0 0 0 18 25 1 0 0 0 0 M END > (P1675944) P1675944 > (P1675944) 1 > (P1675944) 5 > (P1675944) 6 > (P1675944) 2.700000000000000e+000 > (P1675944) 3 > (P1675944) 9.280000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 2.4292 -1.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9417 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5042 -2.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9750 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -1.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -3.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 2 2 0 0 0 0 12 3 2 0 0 0 0 13 4 2 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 16 10 1 0 0 0 0 17 7 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 5 2 0 0 0 0 21 6 2 0 0 0 0 22 14 1 0 0 0 0 23 17 1 0 0 0 0 24 17 1 0 0 0 0 25 22 1 0 0 0 0 26 21 1 0 0 0 0 27 20 1 0 0 0 0 5 6 1 0 0 0 0 27 26 2 0 0 0 0 16 18 2 0 0 0 0 M END > (P1675948) P1675948 > (P1675948) 1 > (P1675948) 4 > (P1675948) 5 > (P1675948) 3.500000000000000e+000 > (P1675948) 3 > (P1675948) 7.570000000000000e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 2.9167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.9167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4917 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 11 1 0 0 0 0 16 8 1 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 9 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 11 1 0 0 0 0 23 21 1 0 0 0 0 24 12 1 0 0 0 0 25 15 1 0 0 0 0 26 16 1 0 0 0 0 4 6 2 0 0 0 0 20 17 1 0 0 0 0 23 15 2 0 0 0 0 M END > (P1676466) P1676466 > (P1676466) 1 > (P1676466) 4 > (P1676466) 6 > (P1676466) 4.500000000000000e+000 > (P1676466) 3 > (P1676466) 9.290000000000001e+001 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 6.5167 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -2.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -0.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0917 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -2.0542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 11 2 0 0 0 0 16 10 2 0 0 0 0 17 3 1 0 0 0 0 18 8 1 0 0 0 0 19 15 1 0 0 0 0 20 11 1 0 0 0 0 21 10 1 0 0 0 0 22 12 1 0 0 0 0 23 15 1 0 0 0 0 24 18 1 0 0 0 0 25 24 1 0 0 0 0 26 20 2 0 0 0 0 27 26 1 0 0 0 0 5 3 2 0 0 0 0 27 23 2 0 0 0 0 M END > (P1676656) P1676656 > (P1676656) 1 > (P1676656) 5 > (P1676656) 8 > (P1676656) 3.600000000000000e+000 > (P1676656) 2 > (P1676656) 1.099000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 6.6417 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.0292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -1.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -1.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2167 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 10 2 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 22 1 0 0 0 0 26 19 2 0 0 0 0 27 26 1 0 0 0 0 4 6 2 0 0 0 0 24 23 1 0 0 0 0 27 21 2 0 0 0 0 M END > (P1676683) P1676683 > (P1676683) 2 > (P1676683) 3 > (P1676683) 6 > (P1676683) 3.900000000000000e+000 > (P1676683) 3 > (P1676683) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 9.4917 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -5.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7250 -5.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -6.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7167 -6.9125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 3 2 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 11 2 0 0 0 0 14 7 1 0 0 0 0 15 2 1 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 3 5 1 0 0 0 0 18 23 2 0 0 0 0 M END > (P1676684) P1676684 > (P1676684) 2 > (P1676684) 4 > (P1676684) 6 > (P1676684) 3.200000000000000e+000 > (P1676684) 2 > (P1676684) 9.170000000000000e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 8.4042 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -5.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2500 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -5.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -6.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -3.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -6.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -2.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2875 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 3 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 2 1 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 15 1 0 0 0 0 19 8 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 6 5 1 0 0 0 0 15 17 1 0 0 0 0 M END > (P1676822) P1676822 > (P1676822) 2 > (P1676822) 4 > (P1676822) 6 > (P1676822) 3.400000000000000e+000 > (P1676822) 2 > (P1676822) 9.170000000000000e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 1.4667 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2792 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 1.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 2.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 20 1 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 16 1 0 0 0 0 22 15 2 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 6 4 1 0 0 0 0 17 24 2 0 0 0 0 M END > (P1678051) P1678051 > (P1678051) 2 > (P1678051) 5 > (P1678051) 8 > (P1678051) 1.300000000000000e+000 > (P1678051) 2 > (P1678051) 8.590000000000002e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 6.6375 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -1.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.8250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2042 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.5917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 3 2 0 0 0 0 10 13 2 0 0 0 0 11 7 1 0 0 0 0 12 19 2 0 0 0 0 13 9 1 0 0 0 0 14 4 1 0 0 0 0 15 12 1 0 0 0 0 16 11 1 0 0 0 0 17 11 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 10 1 0 0 0 0 21 6 1 0 0 0 0 22 14 1 0 0 0 0 23 20 1 0 0 0 0 18 12 1 0 0 0 0 5 10 1 0 0 0 0 M END > (P1678542) P1678542 > (P1678542) 1 > (P1678542) 4 > (P1678542) 6 > (P1678542) 3.100000000000000e+000 > (P1678542) 2 > (P1678542) 5.680000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 1.8875 -1.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3542 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -0.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -1.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7292 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -3.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -2.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 12 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 13 1 0 0 0 0 13 1 1 0 0 0 0 14 5 1 0 0 0 0 15 4 2 0 0 0 0 16 3 2 0 0 0 0 17 12 2 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 7 1 0 0 0 0 21 9 1 0 0 0 0 22 11 2 0 0 0 0 23 10 2 0 0 0 0 24 13 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 30 25 1 0 0 0 0 11 10 1 0 0 0 0 29 28 2 0 0 0 0 9 7 2 0 0 0 0 26 27 1 0 0 0 0 M END > (P1679026) P1679026 > (P1679026) 2 > (P1679026) 4 > (P1679026) 5 > (P1679026) 2.700000000000000e+000 > (P1679026) 4 > (P1679026) 1.238000000000000e+002 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 3.9542 -2.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -2.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -2.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7042 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -2.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8125 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 13 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 1 1 0 0 0 0 14 5 1 0 0 0 0 15 4 2 0 0 0 0 16 3 2 0 0 0 0 17 7 2 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 8 1 0 0 0 0 22 10 1 0 0 0 0 23 12 2 0 0 0 0 24 11 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 19 1 0 0 0 0 28 25 1 0 0 0 0 29 20 1 0 0 0 0 30 20 1 0 0 0 0 31 26 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 23 1 0 0 0 0 35 24 1 0 0 0 0 11 12 1 0 0 0 0 35 34 2 0 0 0 0 10 8 2 0 0 0 0 32 33 1 0 0 0 0 M END > (P1679448) P1679448 > (P1679448) 2 > (P1679448) 5 > (P1679448) 9 > (P1679448) 3.100000000000000e+000 > (P1679448) 4 > (P1679448) 1.330000000000000e+002 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 5.4625 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.1125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1750 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 7 1 0 0 0 0 16 12 2 0 0 0 0 17 12 1 0 0 0 0 18 7 2 0 0 0 0 19 8 2 0 0 0 0 20 13 2 0 0 0 0 21 3 1 0 0 0 0 22 9 1 0 0 0 0 23 8 1 0 0 0 0 24 11 1 0 0 0 0 25 10 1 0 0 0 0 26 13 1 0 0 0 0 27 15 1 0 0 0 0 28 23 1 0 0 0 0 5 3 2 0 0 0 0 9 10 2 0 0 0 0 M END > (P1679610) P1679610 > (P1679610) 1 > (P1679610) 5 > (P1679610) 7 > (P1679610) 4.700000000000000e+000 > (P1679610) 2 > (P1679610) 1.099000000000000e+002 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 3.1000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -0.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.8750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 13 1 0 0 0 0 17 7 1 0 0 0 0 18 10 1 0 0 0 0 19 9 1 0 0 0 0 20 11 1 0 0 0 0 21 15 2 0 0 0 0 22 21 1 0 0 0 0 22 19 2 0 0 0 0 16 10 2 0 0 0 0 M END > (P1679735) P1679735 > (P1679735) 1 > (P1679735) 3 > (P1679735) 5 > (P1679735) 3.900000000000000e+000 > (P1679735) 2 > (P1679735) 4.759999999999999e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 5.1667 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9917 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -4.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -5.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -5.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 7 2 0 0 0 0 15 13 2 0 0 0 0 16 7 1 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 6 4 1 0 0 0 0 10 12 2 0 0 0 0 M END > (P1679791) P1679791 > (P1679791) 2 > (P1679791) 5 > (P1679791) 8 > (P1679791) 3.400000000000000e+000 > (P1679791) 2 > (P1679791) 1.009000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 5.6417 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.7250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -0.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7875 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 0.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 22 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 9 1 0 0 0 0 24 13 1 0 0 0 0 25 16 1 0 0 0 0 26 17 1 0 0 0 0 27 24 1 0 0 0 0 4 6 2 0 0 0 0 26 25 1 0 0 0 0 15 21 2 0 0 0 0 M END > (P1679834) P1679834 > (P1679834) 2 > (P1679834) 3 > (P1679834) 6 > (P1679834) 3.900000000000000e+000 > (P1679834) 3 > (P1679834) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 3.8042 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6375 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -2.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -3.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1333 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3167 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 16 1 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 3 1 0 0 0 0 18 11 1 0 0 0 0 19 14 1 0 0 0 0 20 19 1 0 0 0 0 21 9 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 21 1 0 0 0 0 26 21 1 0 0 0 0 27 23 1 0 0 0 0 28 23 1 0 0 0 0 7 5 1 0 0 0 0 11 14 2 0 0 0 0 M END > (P1679855) P1679855 > (P1679855) 2 > (P1679855) 5 > (P1679855) 9 > (P1679855) 4.600000000000000e+000 > (P1679855) 2 > (P1679855) 1.009000000000000e+002 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 5.1917 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0167 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -3.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -3.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -4.4417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 0.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 7 2 0 0 0 0 13 11 1 0 0 0 0 14 3 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 8 1 0 0 0 0 18 17 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 6 4 1 0 0 0 0 13 20 2 0 0 0 0 M END > (P1679903) P1679903 > (P1679903) 2 > (P1679903) 3 > (P1679903) 5 > (P1679903) 3.800000000000000e+000 > (P1679903) 2 > (P1679903) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 4.5667 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.5750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3917 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -3.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -4.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -5.0542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -2.0500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 8 2 0 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 8 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 6 4 1 0 0 0 0 12 18 2 0 0 0 0 M END > (P1679904) P1679904 > (P1679904) 2 > (P1679904) 3 > (P1679904) 4 > (P1679904) 2.900000000000000e+000 > (P1679904) 2 > (P1679904) 8.250000000000000e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 5.3042 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7542 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 0.0583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 5 2 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 18 1 0 0 0 0 13 12 1 0 0 0 0 14 1 2 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 4 2 0 0 0 0 20 6 1 0 0 0 0 21 11 1 0 0 0 0 22 14 1 0 0 0 0 23 22 2 0 0 0 0 19 23 1 0 0 0 0 12 17 2 0 0 0 0 M END > (P1679937) P1679937 > (P1679937) 1 > (P1679937) 4 > (P1679937) 6 > (P1679937) 3.000000000000000e+000 > (P1679937) 2 > (P1679937) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 7.3792 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2042 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.8375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2042 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -4.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -5.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -6.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9875 -5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -2.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 5 2 0 0 0 0 12 4 1 0 0 0 0 13 4 2 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 3 1 0 0 0 0 17 6 2 0 0 0 0 18 9 2 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 20 2 0 0 0 0 8 5 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 2 4 1 12 -1 M END > (P1680268) P1680268 > (P1680268) 2 > (P1680268) 5 > (P1680268) 4 > (P1680268) 2.200000000000000e+000 > (P1680268) 2 > (P1680268) 1.283000000000000e+002 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 2.4000 -3.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6667 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -3.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6750 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -3.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2375 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -6.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5875 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.8208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 18 2 0 0 0 0 22 16 1 0 0 0 0 23 8 1 0 0 0 0 24 27 1 0 0 0 0 25 30 1 0 0 0 0 26 19 1 0 0 0 0 27 20 2 0 0 0 0 28 24 1 0 0 0 0 29 9 1 0 0 0 0 30 22 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 33 23 2 0 0 0 0 34 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 29 2 0 0 0 0 24 26 2 0 0 0 0 M END > (P1680429) P1680429 > (P1680429) 1 > (P1680429) 5 > (P1680429) 8 > (P1680429) 2.500000000000000e+000 > (P1680429) 4 > (P1680429) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 3.1417 0.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4000 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -0.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9792 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 3.9958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -3.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 23 17 1 0 0 0 0 24 21 1 0 0 0 0 25 9 1 0 0 0 0 26 16 1 0 0 0 0 27 28 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 19 1 0 0 0 0 31 20 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 32 25 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P1680482) P1680482 > (P1680482) 1 > (P1680482) 5 > (P1680482) 8 > (P1680482) 2.500000000000000e+000 > (P1680482) 4 > (P1680482) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 7.1292 -3.8875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3917 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -4.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4042 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -4.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9750 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -4.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -0.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -7.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 18 2 0 0 0 0 22 8 1 0 0 0 0 23 25 2 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 23 1 0 0 0 0 27 9 1 0 0 0 0 28 16 1 0 0 0 0 29 30 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 22 2 0 0 0 0 33 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 27 2 0 0 0 0 23 24 1 0 0 0 0 M END > (P1680484) P1680484 > (P1680484) 1 > (P1680484) 5 > (P1680484) 8 > (P1680484) 2.200000000000000e+000 > (P1680484) 4 > (P1680484) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 2.6292 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.5417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -1.8167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -1.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 3 1 0 0 0 0 14 6 2 0 0 0 0 15 13 2 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 8 1 0 0 0 0 19 10 1 0 0 0 0 20 11 2 0 0 0 0 21 12 2 0 0 0 0 22 24 1 0 0 0 0 23 17 1 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 26 18 1 0 0 0 0 27 19 1 0 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 11 12 1 0 0 0 0 28 29 2 0 0 0 0 8 10 2 0 0 0 0 27 26 1 0 0 0 0 M END > (P1680559) P1680559 > (P1680559) 2 > (P1680559) 3 > (P1680559) 6 > (P1680559) 4.700000000000000e+000 > (P1680559) 4 > (P1680559) 1.239000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 0.7250 -1.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9750 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0083 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.3667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5542 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.2208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 7 1 0 0 0 0 21 18 2 0 0 0 0 22 3 1 0 0 0 0 23 20 1 0 0 0 0 24 23 2 0 0 0 0 25 13 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 30 1 0 0 0 0 29 17 1 0 0 0 0 30 22 1 0 0 0 0 31 28 1 0 0 0 0 32 26 2 0 0 0 0 33 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 27 2 0 0 0 0 13 17 2 0 0 0 0 M END > (P1680661) P1680661 > (P1680661) 1 > (P1680661) 5 > (P1680661) 7 > (P1680661) 2.600000000000000e+000 > (P1680661) 4 > (P1680661) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.8125 -1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0625 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.8375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6500 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -3.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -3.1625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1292 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 10 2 0 0 0 0 18 23 1 0 0 0 0 19 11 1 0 0 0 0 20 5 1 0 0 0 0 21 27 1 0 0 0 0 22 7 1 0 0 0 0 23 19 2 0 0 0 0 24 22 1 0 0 0 0 25 24 2 0 0 0 0 26 14 1 0 0 0 0 27 12 1 0 0 0 0 28 8 1 0 0 0 0 29 9 1 0 0 0 0 30 21 1 0 0 0 0 31 18 1 0 0 0 0 32 27 1 0 0 0 0 33 28 2 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 29 2 0 0 0 0 35 30 1 0 0 0 0 14 18 2 0 0 0 0 M END > (P1680662) P1680662 > (P1680662) 1 > (P1680662) 5 > (P1680662) 6 > (P1680662) 3.100000000000000e+000 > (P1680662) 5 > (P1680662) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.7500 -0.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -1.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5875 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 1.6208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 18 2 0 0 0 0 22 7 1 0 0 0 0 23 13 1 0 0 0 0 24 8 1 0 0 0 0 25 9 1 0 0 0 0 26 20 1 0 0 0 0 27 29 1 0 0 0 0 28 17 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 22 1 0 0 0 0 32 24 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 25 2 0 0 0 0 13 17 2 0 0 0 0 M END > (P1680663) P1680663 > (P1680663) 1 > (P1680663) 5 > (P1680663) 9 > (P1680663) 3.400000000000000e+000 > (P1680663) 4 > (P1680663) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 -0.3375 -0.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0833 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -1.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0708 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5083 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 2.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1917 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 15 11 2 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 12 1 0 0 0 0 19 10 2 0 0 0 0 20 18 1 0 0 0 0 21 11 1 0 0 0 0 22 5 1 0 0 0 0 23 21 2 0 0 0 0 24 3 1 0 0 0 0 25 7 1 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 8 1 0 0 0 0 29 9 1 0 0 0 0 30 24 1 0 0 0 0 31 32 1 0 0 0 0 32 30 1 0 0 0 0 33 20 1 0 0 0 0 34 31 1 0 0 0 0 35 28 2 0 0 0 0 36 35 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 36 29 2 0 0 0 0 12 14 2 0 0 0 0 13 20 1 0 0 0 0 M END > (P1680664) P1680664 > (P1680664) 1 > (P1680664) 6 > (P1680664) 8 > (P1680664) 2.500000000000000e+000 > (P1680664) 5 > (P1680664) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 2.1875 -0.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4375 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4500 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -0.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 1.7458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 18 2 0 0 0 0 22 7 1 0 0 0 0 23 13 1 0 0 0 0 24 8 1 0 0 0 0 25 9 1 0 0 0 0 26 20 1 0 0 0 0 27 29 1 0 0 0 0 28 17 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 22 1 0 0 0 0 32 24 2 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 25 2 0 0 0 0 13 17 2 0 0 0 0 M END > (P1680667) P1680667 > (P1680667) 1 > (P1680667) 5 > (P1680667) 8 > (P1680667) 3.000000000000000e+000 > (P1680667) 4 > (P1680667) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 3.4250 -1.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6792 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -1.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7000 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2667 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 1.1833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 22 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 7 1 0 0 0 0 22 18 2 0 0 0 0 23 21 1 0 0 0 0 24 23 2 0 0 0 0 25 13 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 20 1 0 0 0 0 29 31 1 0 0 0 0 30 17 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 26 2 0 0 0 0 34 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 27 2 0 0 0 0 13 17 2 0 0 0 0 M END > (P1680671) P1680671 > (P1680671) 1 > (P1680671) 5 > (P1680671) 8 > (P1680671) 2.700000000000000e+000 > (P1680671) 4 > (P1680671) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 5.8042 -5.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0542 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -6.0417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0750 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -5.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6375 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -3.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -3.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -8.8125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5000 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -9.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 18 2 0 0 0 0 22 7 1 0 0 0 0 23 20 1 0 0 0 0 24 13 1 0 0 0 0 25 8 1 0 0 0 0 26 28 1 0 0 0 0 27 9 1 0 0 0 0 28 23 1 0 0 0 0 29 17 1 0 0 0 0 30 26 1 0 0 0 0 31 26 1 0 0 0 0 32 22 1 0 0 0 0 33 25 2 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 27 2 0 0 0 0 13 17 2 0 0 0 0 M END > (P1680672) P1680672 > (P1680672) 1 > (P1680672) 5 > (P1680672) 8 > (P1680672) 3.200000000000000e+000 > (P1680672) 4 > (P1680672) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 -0.2125 -1.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0375 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -2.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -2.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3750 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9250 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 2.0208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 24 17 1 0 0 0 0 25 18 2 0 0 0 0 26 22 1 0 0 0 0 27 9 1 0 0 0 0 28 20 1 0 0 0 0 29 23 1 0 0 0 0 30 23 1 0 0 0 0 31 19 1 0 0 0 0 32 21 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 27 2 0 0 0 0 24 22 2 0 0 0 0 M END > (P1680696) P1680696 > (P1680696) 1 > (P1680696) 5 > (P1680696) 9 > (P1680696) 3.200000000000000e+000 > (P1680696) 4 > (P1680696) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.9042 -6.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1625 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -7.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1792 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7500 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -6.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -9.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2292 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -2.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -9.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 7 1 0 0 0 0 20 11 1 0 0 0 0 21 20 1 0 0 0 0 22 8 1 0 0 0 0 23 25 1 0 0 0 0 24 17 1 0 0 0 0 25 18 2 0 0 0 0 26 23 1 0 0 0 0 27 9 1 0 0 0 0 28 21 1 0 0 0 0 29 21 1 0 0 0 0 30 19 1 0 0 0 0 31 22 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 32 27 2 0 0 0 0 24 23 2 0 0 0 0 M END > (P1680698) P1680698 > (P1680698) 1 > (P1680698) 5 > (P1680698) 7 > (P1680698) 2.700000000000000e+000 > (P1680698) 4 > (P1680698) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 -0.5875 -1.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3333 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -2.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3208 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -2.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7500 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -5.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3167 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 20 1 0 0 0 0 29 22 1 0 0 0 0 30 22 1 0 0 0 0 31 27 1 0 0 0 0 32 19 1 0 0 0 0 33 21 2 0 0 0 0 34 33 1 0 0 0 0 35 31 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 26 2 0 0 0 0 25 23 2 0 0 0 0 M END > (P1680704) P1680704 > (P1680704) 1 > (P1680704) 6 > (P1680704) 9 > (P1680704) 2.300000000000000e+000 > (P1680704) 4 > (P1680704) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 1.3417 -0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5917 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6125 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6667 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 3.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 21 1 0 0 0 0 18 14 1 0 0 0 0 19 14 2 0 0 0 0 20 7 1 0 0 0 0 21 11 1 0 0 0 0 22 8 1 0 0 0 0 23 25 2 0 0 0 0 24 18 2 0 0 0 0 25 19 1 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 17 1 0 0 0 0 29 27 1 0 0 0 0 30 21 1 0 0 0 0 31 20 1 0 0 0 0 32 22 2 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 35 30 1 0 0 0 0 36 31 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 26 2 0 0 0 0 35 28 1 0 0 0 0 23 24 1 0 0 0 0 M END > (P1680705) P1680705 > (P1680705) 1 > (P1680705) 6 > (P1680705) 8 > (P1680705) 3.000000000000000e+000 > (P1680705) 5 > (P1680705) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 0.3750 -1.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6292 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2125 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2792 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 20 1 0 0 0 0 29 22 1 0 0 0 0 30 22 1 0 0 0 0 31 27 1 0 0 0 0 32 19 1 0 0 0 0 33 21 2 0 0 0 0 34 33 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 26 2 0 0 0 0 25 23 2 0 0 0 0 M END > (P1680706) P1680706 > (P1680706) 1 > (P1680706) 6 > (P1680706) 10 > (P1680706) 2.900000000000000e+000 > (P1680706) 4 > (P1680706) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.4375 -2.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6917 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.9750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2958 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -2.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2750 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -4.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7625 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 1.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 7 1 0 0 0 0 20 11 1 0 0 0 0 21 20 1 0 0 0 0 22 8 1 0 0 0 0 23 25 1 0 0 0 0 24 17 1 0 0 0 0 25 18 2 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 21 1 0 0 0 0 29 21 1 0 0 0 0 30 27 1 0 0 0 0 31 19 1 0 0 0 0 32 22 2 0 0 0 0 33 32 1 0 0 0 0 34 30 1 0 0 0 0 35 31 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 26 2 0 0 0 0 24 23 2 0 0 0 0 M END > (P1680707) P1680707 > (P1680707) 1 > (P1680707) 6 > (P1680707) 9 > (P1680707) 2.800000000000000e+000 > (P1680707) 4 > (P1680707) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.7292 -0.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9875 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -1.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5667 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -4.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 23 1 0 0 0 0 22 17 1 0 0 0 0 23 18 2 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 21 1 0 0 0 0 27 28 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 19 1 0 0 0 0 32 20 2 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 35 31 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 24 2 0 0 0 0 22 21 2 0 0 0 0 M END > (P1680712) P1680712 > (P1680712) 1 > (P1680712) 6 > (P1680712) 10 > (P1680712) 2.600000000000000e+000 > (P1680712) 4 > (P1680712) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.5917 -0.1750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8417 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8625 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 1.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -3.4375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6917 3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 3.8083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 24 1 0 0 0 0 23 28 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 9 1 0 0 0 0 28 20 1 0 0 0 0 29 23 1 0 0 0 0 30 23 1 0 0 0 0 31 19 1 0 0 0 0 32 21 2 0 0 0 0 33 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 27 2 0 0 0 0 25 22 2 0 0 0 0 M END > (P1680713) P1680713 > (P1680713) 1 > (P1680713) 5 > (P1680713) 7 > (P1680713) 2.200000000000000e+000 > (P1680713) 4 > (P1680713) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 0.6875 -0.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9500 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0375 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5250 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 23 1 0 0 0 0 22 17 1 0 0 0 0 23 18 2 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 21 1 0 0 0 0 27 28 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 19 1 0 0 0 0 32 20 2 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 24 2 0 0 0 0 22 21 2 0 0 0 0 M END > (P1680714) P1680714 > (P1680714) 1 > (P1680714) 6 > (P1680714) 9 > (P1680714) 2.100000000000000e+000 > (P1680714) 4 > (P1680714) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.5875 -0.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8417 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.8125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4250 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -3.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9125 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 3.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 18 2 0 0 0 0 22 11 1 0 0 0 0 23 22 1 0 0 0 0 24 8 1 0 0 0 0 25 26 2 0 0 0 0 26 20 1 0 0 0 0 27 19 2 0 0 0 0 28 9 1 0 0 0 0 29 25 1 0 0 0 0 30 23 1 0 0 0 0 31 23 1 0 0 0 0 32 29 1 0 0 0 0 33 24 2 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 28 2 0 0 0 0 25 27 1 0 0 0 0 M END > (P1680716) P1680716 > (P1680716) 1 > (P1680716) 6 > (P1680716) 9 > (P1680716) 2.600000000000000e+000 > (P1680716) 4 > (P1680716) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.6250 -1.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1083 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -1.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4625 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 18 2 0 0 0 0 22 8 1 0 0 0 0 23 24 2 0 0 0 0 24 20 1 0 0 0 0 25 19 2 0 0 0 0 26 9 1 0 0 0 0 27 16 1 0 0 0 0 28 23 1 0 0 0 0 29 30 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 22 2 0 0 0 0 34 33 1 0 0 0 0 35 31 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 26 2 0 0 0 0 23 25 1 0 0 0 0 M END > (P1680722) P1680722 > (P1680722) 1 > (P1680722) 6 > (P1680722) 10 > (P1680722) 2.300000000000000e+000 > (P1680722) 4 > (P1680722) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.4750 -2.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7292 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7417 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -2.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3125 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -4.9667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5917 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.5333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 18 1 0 0 0 0 14 6 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 32 1 0 0 0 0 20 15 1 0 0 0 0 21 15 2 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 26 2 0 0 0 0 25 20 2 0 0 0 0 26 21 1 0 0 0 0 27 24 1 0 0 0 0 28 9 1 0 0 0 0 29 13 1 0 0 0 0 30 13 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 22 1 0 0 0 0 34 23 2 0 0 0 0 35 34 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 35 28 2 0 0 0 0 24 25 1 0 0 0 0 31 19 1 0 0 0 0 M END > (P1680723) P1680723 > (P1680723) 1 > (P1680723) 6 > (P1680723) 6 > (P1680723) 1.800000000000000e+000 > (P1680723) 5 > (P1680723) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 5.6125 -5.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8667 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -6.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8792 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -5.9125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4500 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -9.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5167 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -8.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -9.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -8.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 18 2 0 0 0 0 22 16 1 0 0 0 0 23 8 1 0 0 0 0 24 30 1 0 0 0 0 25 27 2 0 0 0 0 26 19 2 0 0 0 0 27 20 1 0 0 0 0 28 9 1 0 0 0 0 29 25 1 0 0 0 0 30 22 1 0 0 0 0 31 24 1 0 0 0 0 32 24 1 0 0 0 0 33 29 1 0 0 0 0 34 23 2 0 0 0 0 35 34 1 0 0 0 0 36 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 35 28 2 0 0 0 0 25 26 1 0 0 0 0 M END > (P1680729) P1680729 > (P1680729) 1 > (P1680729) 6 > (P1680729) 10 > (P1680729) 2.600000000000000e+000 > (P1680729) 4 > (P1680729) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 2.9750 -1.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2292 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8125 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -4.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1167 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 27 1 0 0 0 0 23 17 1 0 0 0 0 24 18 2 0 0 0 0 25 24 1 0 0 0 0 26 9 1 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 22 1 0 0 0 0 30 25 1 0 0 0 0 31 19 1 0 0 0 0 32 21 2 0 0 0 0 33 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 26 2 0 0 0 0 23 25 2 0 0 0 0 M END > (P1680801) P1680801 > (P1680801) 1 > (P1680801) 5 > (P1680801) 7 > (P1680801) 2.500000000000000e+000 > (P1680801) 4 > (P1680801) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 1.9625 -1.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -1.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8000 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -4.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 27 1 0 0 0 0 23 17 1 0 0 0 0 24 18 2 0 0 0 0 25 24 1 0 0 0 0 26 9 1 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 22 1 0 0 0 0 30 25 1 0 0 0 0 31 19 1 0 0 0 0 32 21 2 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 26 2 0 0 0 0 23 25 2 0 0 0 0 M END > (P1680802) P1680802 > (P1680802) 1 > (P1680802) 5 > (P1680802) 8 > (P1680802) 3.000000000000000e+000 > (P1680802) 4 > (P1680802) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 3.4000 -1.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6542 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -2.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6667 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2375 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -5.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5417 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 27 1 0 0 0 0 23 17 1 0 0 0 0 24 18 2 0 0 0 0 25 24 1 0 0 0 0 26 9 1 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 22 1 0 0 0 0 30 25 1 0 0 0 0 31 19 1 0 0 0 0 32 21 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 26 2 0 0 0 0 23 25 2 0 0 0 0 M END > (P1680803) P1680803 > (P1680803) 1 > (P1680803) 5 > (P1680803) 9 > (P1680803) 3.500000000000000e+000 > (P1680803) 4 > (P1680803) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 0.9375 -2.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1917 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -3.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2000 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7750 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -5.8125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0750 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 18 2 0 0 0 0 22 16 1 0 0 0 0 23 8 1 0 0 0 0 24 29 1 0 0 0 0 25 20 1 0 0 0 0 26 19 2 0 0 0 0 27 25 2 0 0 0 0 28 9 1 0 0 0 0 29 22 1 0 0 0 0 30 24 1 0 0 0 0 31 24 1 0 0 0 0 32 27 1 0 0 0 0 33 23 2 0 0 0 0 34 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 28 2 0 0 0 0 27 26 1 0 0 0 0 M END > (P1680804) P1680804 > (P1680804) 1 > (P1680804) 5 > (P1680804) 8 > (P1680804) 2.800000000000000e+000 > (P1680804) 4 > (P1680804) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 5.2375 -7.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5000 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -7.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5042 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -7.1875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0750 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -5.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -8.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -9.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1500 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -3.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -9.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -9.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 20 1 0 0 0 0 29 22 1 0 0 0 0 30 22 1 0 0 0 0 31 27 1 0 0 0 0 32 19 1 0 0 0 0 33 21 2 0 0 0 0 34 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 26 2 0 0 0 0 25 23 2 0 0 0 0 M END > (P1680909) P1680909 > (P1680909) 1 > (P1680909) 6 > (P1680909) 8 > (P1680909) 2.000000000000000e+000 > (P1680909) 4 > (P1680909) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.1750 -2.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -3.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5583 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -2.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -5.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0875 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 20 1 0 0 0 0 29 22 1 0 0 0 0 30 22 1 0 0 0 0 31 27 1 0 0 0 0 32 19 1 0 0 0 0 33 21 2 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 26 2 0 0 0 0 25 23 2 0 0 0 0 M END > (P1680910) P1680910 > (P1680910) 1 > (P1680910) 6 > (P1680910) 9 > (P1680910) 2.500000000000000e+000 > (P1680910) 4 > (P1680910) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 2.0667 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3375 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -2.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3417 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9125 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -4.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 20 1 0 0 0 0 29 22 1 0 0 0 0 30 22 1 0 0 0 0 31 27 1 0 0 0 0 32 19 1 0 0 0 0 33 21 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 35 26 2 0 0 0 0 25 23 2 0 0 0 0 M END > (P1680911) P1680911 > (P1680911) 1 > (P1680911) 6 > (P1680911) 10 > (P1680911) 3.000000000000000e+000 > (P1680911) 4 > (P1680911) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 2.0042 -1.3750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2667 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -3.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9250 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 2.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 18 2 0 0 0 0 22 16 1 0 0 0 0 23 8 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 26 20 2 0 0 0 0 27 19 1 0 0 0 0 28 9 1 0 0 0 0 29 25 1 0 0 0 0 30 22 1 0 0 0 0 31 24 1 0 0 0 0 32 24 1 0 0 0 0 33 29 1 0 0 0 0 34 23 2 0 0 0 0 35 34 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 35 28 2 0 0 0 0 27 25 2 0 0 0 0 M END > (P1680912) P1680912 > (P1680912) 1 > (P1680912) 6 > (P1680912) 9 > (P1680912) 2.300000000000000e+000 > (P1680912) 4 > (P1680912) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 5.7000 -6.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9542 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -7.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9667 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -7.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5417 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -8.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0250 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -9.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -9.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 7 1 0 0 0 0 20 11 1 0 0 0 0 21 20 1 0 0 0 0 22 8 1 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 21 1 0 0 0 0 29 21 1 0 0 0 0 30 27 1 0 0 0 0 31 19 1 0 0 0 0 32 22 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 30 1 0 0 0 0 36 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 26 2 0 0 0 0 23 25 2 0 0 0 0 M END > (P1681159) P1681159 > (P1681159) 1 > (P1681159) 6 > (P1681159) 10 > (P1681159) 3.300000000000000e+000 > (P1681159) 4 > (P1681159) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 1.1125 -2.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3667 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -3.0792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3750 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -2.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9500 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 23 1 0 0 0 0 22 17 1 0 0 0 0 23 18 2 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 21 1 0 0 0 0 27 28 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 19 1 0 0 0 0 32 20 2 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 24 2 0 0 0 0 21 22 2 0 0 0 0 M END > (P1681496) P1681496 > (P1681496) 1 > (P1681496) 6 > (P1681496) 9 > (P1681496) 2.300000000000000e+000 > (P1681496) 4 > (P1681496) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 3.5750 -1.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8292 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -2.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8417 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -2.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -5.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 27 1 0 0 0 0 27 25 1 0 0 0 0 28 23 1 0 0 0 0 29 26 1 0 0 0 0 30 19 1 0 0 0 0 31 20 2 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 24 2 0 0 0 0 23 21 2 0 0 0 0 M END > (P1681497) P1681497 > (P1681497) 1 > (P1681497) 5 > (P1681497) 9 > (P1681497) 3.200000000000000e+000 > (P1681497) 4 > (P1681497) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 2.9792 -3.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2417 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -3.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2500 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8250 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 27 1 0 0 0 0 27 25 1 0 0 0 0 28 23 1 0 0 0 0 29 26 1 0 0 0 0 30 19 1 0 0 0 0 31 20 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 24 2 0 0 0 0 23 21 2 0 0 0 0 M END > (P1681498) P1681498 > (P1681498) 1 > (P1681498) 5 > (P1681498) 8 > (P1681498) 2.800000000000000e+000 > (P1681498) 4 > (P1681498) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.1792 -1.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4292 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -2.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4500 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0167 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 23 1 0 0 0 0 22 17 1 0 0 0 0 23 18 2 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 21 1 0 0 0 0 27 28 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 19 1 0 0 0 0 32 20 2 0 0 0 0 33 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 24 2 0 0 0 0 21 22 2 0 0 0 0 M END > (P1681500) P1681500 > (P1681500) 1 > (P1681500) 6 > (P1681500) 8 > (P1681500) 1.700000000000000e+000 > (P1681500) 4 > (P1681500) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 0.9875 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2500 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.7875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -2.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8250 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -4.2125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1125 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.7250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 18 1 0 0 0 0 14 6 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 32 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 25 1 0 0 0 0 25 21 2 0 0 0 0 26 20 1 0 0 0 0 27 24 1 0 0 0 0 28 9 1 0 0 0 0 29 13 1 0 0 0 0 30 13 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 22 1 0 0 0 0 34 23 2 0 0 0 0 35 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 28 35 2 0 0 0 0 24 26 2 0 0 0 0 31 19 1 0 0 0 0 M END > (P1681692) P1681692 > (P1681692) 1 > (P1681692) 6 > (P1681692) 6 > (P1681692) 2.300000000000000e+000 > (P1681692) 5 > (P1681692) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 0.8167 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 6 2 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 18 9 1 0 0 0 0 19 18 2 0 0 0 0 20 12 1 0 0 0 0 21 12 2 0 0 0 0 22 19 1 0 0 0 0 23 17 1 0 0 0 0 24 15 2 0 0 0 0 25 16 2 0 0 0 0 26 23 1 0 0 0 0 27 20 2 0 0 0 0 28 21 1 0 0 0 0 29 28 2 0 0 0 0 5 8 2 0 0 0 0 25 24 1 0 0 0 0 27 29 1 0 0 0 0 14 22 2 0 0 0 0 M END > (P1683376) P1683376 > (P1683376) 1 > (P1683376) 3 > (P1683376) 6 > (P1683376) 4.900000000000000e+000 > (P1683376) 4 > (P1683376) 6.850000000000000e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 1.8875 -0.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1500 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7250 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 1.7833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -3.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5875 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 18 2 0 0 0 0 22 7 1 0 0 0 0 23 20 1 0 0 0 0 24 13 1 0 0 0 0 25 8 1 0 0 0 0 26 28 1 0 0 0 0 27 9 1 0 0 0 0 28 23 1 0 0 0 0 29 17 1 0 0 0 0 30 26 1 0 0 0 0 31 26 1 0 0 0 0 32 22 1 0 0 0 0 33 25 2 0 0 0 0 34 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 27 2 0 0 0 0 17 13 2 0 0 0 0 M END > (P1683496) P1683496 > (P1683496) 1 > (P1683496) 5 > (P1683496) 7 > (P1683496) 2.700000000000000e+000 > (P1683496) 4 > (P1683496) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.7917 -0.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.6125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0625 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -0.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6292 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7417 2.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 10 2 0 0 0 0 18 21 1 0 0 0 0 19 11 1 0 0 0 0 20 5 1 0 0 0 0 21 19 2 0 0 0 0 22 7 1 0 0 0 0 23 12 1 0 0 0 0 24 23 1 0 0 0 0 25 14 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 18 1 0 0 0 0 29 24 1 0 0 0 0 30 24 1 0 0 0 0 31 22 1 0 0 0 0 32 26 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 27 2 0 0 0 0 18 14 2 0 0 0 0 M END > (P1683504) P1683504 > (P1683504) 1 > (P1683504) 5 > (P1683504) 8 > (P1683504) 3.600000000000000e+000 > (P1683504) 4 > (P1683504) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.6042 -0.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8625 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -1.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1208 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -1.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4417 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 1.4750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -4.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6958 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 22 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 7 1 0 0 0 0 22 18 2 0 0 0 0 23 21 1 0 0 0 0 24 23 2 0 0 0 0 25 20 1 0 0 0 0 26 13 1 0 0 0 0 27 8 1 0 0 0 0 28 30 1 0 0 0 0 29 9 1 0 0 0 0 30 25 1 0 0 0 0 31 17 1 0 0 0 0 32 28 1 0 0 0 0 33 28 1 0 0 0 0 34 27 2 0 0 0 0 35 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 35 29 2 0 0 0 0 17 13 2 0 0 0 0 M END > (P1683506) P1683506 > (P1683506) 1 > (P1683506) 5 > (P1683506) 8 > (P1683506) 3.000000000000000e+000 > (P1683506) 4 > (P1683506) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 6.0417 -6.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3042 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -6.9500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3125 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -6.6375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8792 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -5.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -8.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 24 9 1 0 0 0 0 25 26 1 0 0 0 0 26 16 1 0 0 0 0 27 23 1 0 0 0 0 28 25 1 0 0 0 0 29 19 1 0 0 0 0 30 20 2 0 0 0 0 31 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 31 24 2 0 0 0 0 23 21 2 0 0 0 0 M END > (P1683553) P1683553 > (P1683553) 1 > (P1683553) 5 > (P1683553) 6 > (P1683553) 2.200000000000000e+000 > (P1683553) 4 > (P1683553) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.9292 -0.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1875 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -0.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 3.3708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 23 1 0 0 0 0 22 17 1 0 0 0 0 23 18 2 0 0 0 0 24 21 1 0 0 0 0 25 9 1 0 0 0 0 26 16 1 0 0 0 0 27 28 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 19 1 0 0 0 0 31 20 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 25 2 0 0 0 0 21 22 2 0 0 0 0 M END > (P1683555) P1683555 > (P1683555) 1 > (P1683555) 5 > (P1683555) 8 > (P1683555) 2.900000000000000e+000 > (P1683555) 4 > (P1683555) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 1.3292 -1.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5875 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -2.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1667 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6542 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 23 1 0 0 0 0 18 7 1 0 0 0 0 19 18 1 0 0 0 0 20 14 2 0 0 0 0 21 14 1 0 0 0 0 22 19 2 0 0 0 0 23 11 1 0 0 0 0 24 8 1 0 0 0 0 25 21 2 0 0 0 0 26 20 1 0 0 0 0 27 25 1 0 0 0 0 28 9 1 0 0 0 0 29 17 1 0 0 0 0 30 27 1 0 0 0 0 31 23 1 0 0 0 0 32 24 2 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 28 2 0 0 0 0 34 29 1 0 0 0 0 27 26 2 0 0 0 0 M END > (P1683556) P1683556 > (P1683556) 1 > (P1683556) 5 > (P1683556) 6 > (P1683556) 2.900000000000000e+000 > (P1683556) 5 > (P1683556) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 0.8625 -1.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.5750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1250 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 16 1 0 0 0 0 19 8 1 0 0 0 0 20 22 1 0 0 0 0 21 9 1 0 0 0 0 22 18 1 0 0 0 0 23 14 2 0 0 0 0 24 14 1 0 0 0 0 25 20 1 0 0 0 0 26 20 1 0 0 0 0 27 17 1 0 0 0 0 28 19 2 0 0 0 0 29 28 1 0 0 0 0 30 23 1 0 0 0 0 31 24 2 0 0 0 0 32 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 29 21 2 0 0 0 0 32 30 2 0 0 0 0 M END > (P1683557) P1683557 > (P1683557) 1 > (P1683557) 5 > (P1683557) 7 > (P1683557) 2.000000000000000e+000 > (P1683557) 4 > (P1683557) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 1.0250 -0.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -1.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2875 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -1.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8625 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 1 0 0 0 0 18 13 2 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 17 2 0 0 0 0 22 18 1 0 0 0 0 23 22 2 0 0 0 0 24 9 1 0 0 0 0 25 26 1 0 0 0 0 26 16 1 0 0 0 0 27 23 1 0 0 0 0 28 25 1 0 0 0 0 29 19 1 0 0 0 0 30 20 2 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 31 24 2 0 0 0 0 23 21 1 0 0 0 0 M END > (P1683558) P1683558 > (P1683558) 1 > (P1683558) 5 > (P1683558) 7 > (P1683558) 2.700000000000000e+000 > (P1683558) 4 > (P1683558) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 1.3625 -1.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6250 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -2.3625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6292 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -2.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2000 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -3.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6875 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 21 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 7 1 0 0 0 0 21 11 1 0 0 0 0 22 8 1 0 0 0 0 23 19 2 0 0 0 0 24 18 1 0 0 0 0 25 23 1 0 0 0 0 26 9 1 0 0 0 0 27 17 1 0 0 0 0 28 25 1 0 0 0 0 29 21 1 0 0 0 0 30 20 1 0 0 0 0 31 22 2 0 0 0 0 32 31 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 26 2 0 0 0 0 33 27 1 0 0 0 0 25 24 2 0 0 0 0 M END > (P1683561) P1683561 > (P1683561) 1 > (P1683561) 5 > (P1683561) 6 > (P1683561) 3.200000000000000e+000 > (P1683561) 5 > (P1683561) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.6500 -1.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9125 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -1.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -1.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4875 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -3.5417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5917 1.3375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 10 2 0 0 0 0 18 21 1 0 0 0 0 19 11 1 0 0 0 0 20 5 1 0 0 0 0 21 19 2 0 0 0 0 22 7 1 0 0 0 0 23 12 1 0 0 0 0 24 23 1 0 0 0 0 25 14 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 18 1 0 0 0 0 29 24 1 0 0 0 0 30 24 1 0 0 0 0 31 22 1 0 0 0 0 32 26 2 0 0 0 0 33 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 27 2 0 0 0 0 18 14 2 0 0 0 0 M END > (P1683739) P1683739 > (P1683739) 1 > (P1683739) 5 > (P1683739) 6 > (P1683739) 2.600000000000000e+000 > (P1683739) 4 > (P1683739) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 3.8167 -1.1625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0792 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -1.6542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0792 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.3375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6542 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -3.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7625 1.2708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 10 2 0 0 0 0 18 22 1 0 0 0 0 19 11 1 0 0 0 0 20 5 1 0 0 0 0 21 7 1 0 0 0 0 22 19 2 0 0 0 0 23 21 1 0 0 0 0 24 23 2 0 0 0 0 25 12 1 0 0 0 0 26 25 1 0 0 0 0 27 14 1 0 0 0 0 28 8 1 0 0 0 0 29 9 1 0 0 0 0 30 18 1 0 0 0 0 31 26 1 0 0 0 0 32 26 1 0 0 0 0 33 28 2 0 0 0 0 34 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 29 2 0 0 0 0 18 14 2 0 0 0 0 M END > (P1683740) P1683740 > (P1683740) 1 > (P1683740) 5 > (P1683740) 7 > (P1683740) 2.900000000000000e+000 > (P1683740) 4 > (P1683740) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 4.7167 -6.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9667 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -6.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9792 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -6.4875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5542 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -5.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -8.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8292 -6.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -10.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -3.8792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -9.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -8.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 4 2 0 0 0 0 16 22 1 0 0 0 0 17 6 2 0 0 0 0 18 10 2 0 0 0 0 19 23 1 0 0 0 0 20 11 1 0 0 0 0 21 5 1 0 0 0 0 22 12 1 0 0 0 0 23 20 2 0 0 0 0 24 32 1 0 0 0 0 25 7 1 0 0 0 0 26 14 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 16 1 0 0 0 0 30 16 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 19 1 0 0 0 0 34 25 1 0 0 0 0 35 27 2 0 0 0 0 36 35 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 28 36 2 0 0 0 0 31 24 1 0 0 0 0 19 14 2 0 0 0 0 M END > (P1683746) P1683746 > (P1683746) 1 > (P1683746) 6 > (P1683746) 6 > (P1683746) 2.300000000000000e+000 > (P1683746) 5 > (P1683746) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.4250 -1.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6875 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -1.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2625 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 2.7208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 7 1 0 0 0 0 20 11 1 0 0 0 0 21 20 1 0 0 0 0 22 8 1 0 0 0 0 23 25 1 0 0 0 0 24 17 1 0 0 0 0 25 18 2 0 0 0 0 26 23 1 0 0 0 0 27 9 1 0 0 0 0 28 21 1 0 0 0 0 29 21 1 0 0 0 0 30 19 1 0 0 0 0 31 22 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 27 2 0 0 0 0 23 24 2 0 0 0 0 M END > (P1683823) P1683823 > (P1683823) 1 > (P1683823) 5 > (P1683823) 7 > (P1683823) 3.100000000000000e+000 > (P1683823) 4 > (P1683823) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 1.0500 -0.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3125 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -1.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8875 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -4.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1917 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 3.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 24 17 1 0 0 0 0 25 18 2 0 0 0 0 26 22 1 0 0 0 0 27 9 1 0 0 0 0 28 20 1 0 0 0 0 29 23 1 0 0 0 0 30 23 1 0 0 0 0 31 19 1 0 0 0 0 32 21 2 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 27 2 0 0 0 0 22 24 2 0 0 0 0 M END > (P1683825) P1683825 > (P1683825) 1 > (P1683825) 5 > (P1683825) 8 > (P1683825) 3.200000000000000e+000 > (P1683825) 4 > (P1683825) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 4.2542 -0.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5167 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -1.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5250 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0917 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -3.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6917 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 24 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 3 1 0 0 0 0 18 7 1 0 0 0 0 19 29 1 0 0 0 0 20 18 1 0 0 0 0 21 20 2 0 0 0 0 22 17 1 0 0 0 0 23 8 1 0 0 0 0 24 22 1 0 0 0 0 25 9 1 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 15 2 0 0 0 0 31 15 1 0 0 0 0 32 23 2 0 0 0 0 33 32 1 0 0 0 0 34 31 2 0 0 0 0 35 30 1 0 0 0 0 36 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 25 2 0 0 0 0 36 35 2 0 0 0 0 28 19 1 0 0 0 0 M END > (P1684129) P1684129 > (P1684129) 1 > (P1684129) 6 > (P1684129) 8 > (P1684129) 2.000000000000000e+000 > (P1684129) 5 > (P1684129) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 4.5917 -1.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -2.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8625 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4292 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -4.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7042 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -5.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 18 1 0 0 0 0 14 6 2 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 26 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 16 2 0 0 0 0 28 16 1 0 0 0 0 29 20 1 0 0 0 0 30 21 2 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 33 28 2 0 0 0 0 34 27 1 0 0 0 0 35 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 31 22 2 0 0 0 0 19 25 1 0 0 0 0 35 34 2 0 0 0 0 M END > (P1684306) P1684306 > (P1684306) 1 > (P1684306) 6 > (P1684306) 7 > (P1684306) 2.200000000000000e+000 > (P1684306) 5 > (P1684306) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 2.1292 -1.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9750 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 2.7333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -3.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 7 1 0 0 0 0 17 3 1 0 0 0 0 18 16 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 18 2 0 0 0 0 22 8 1 0 0 0 0 23 25 1 0 0 0 0 24 19 1 0 0 0 0 25 20 2 0 0 0 0 26 23 1 0 0 0 0 27 9 1 0 0 0 0 28 29 1 0 0 0 0 29 17 1 0 0 0 0 30 28 1 0 0 0 0 31 22 2 0 0 0 0 32 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 27 2 0 0 0 0 23 24 2 0 0 0 0 M END > (P1684309) P1684309 > (P1684309) 1 > (P1684309) 5 > (P1684309) 7 > (P1684309) 2.600000000000000e+000 > (P1684309) 4 > (P1684309) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 1.0500 0.0583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3042 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3125 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8875 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -3.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 16 1 0 0 0 0 21 22 1 0 0 0 0 22 20 1 0 0 0 0 23 14 2 0 0 0 0 24 14 1 0 0 0 0 25 21 1 0 0 0 0 26 17 1 0 0 0 0 27 18 2 0 0 0 0 28 27 1 0 0 0 0 29 26 1 0 0 0 0 30 23 1 0 0 0 0 31 24 2 0 0 0 0 32 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 28 19 2 0 0 0 0 32 30 2 0 0 0 0 M END > (P1684310) P1684310 > (P1684310) 1 > (P1684310) 5 > (P1684310) 8 > (P1684310) 2.300000000000000e+000 > (P1684310) 4 > (P1684310) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 1.1500 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4125 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -1.2625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4167 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.9417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9875 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 7 1 0 0 0 0 17 3 1 0 0 0 0 18 16 1 0 0 0 0 19 18 2 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 25 1 0 0 0 0 23 14 2 0 0 0 0 24 14 1 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 20 2 0 0 0 0 28 27 1 0 0 0 0 29 24 2 0 0 0 0 30 23 1 0 0 0 0 31 29 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 28 21 2 0 0 0 0 31 30 2 0 0 0 0 M END > (P1684311) P1684311 > (P1684311) 1 > (P1684311) 5 > (P1684311) 7 > (P1684311) 2.000000000000000e+000 > (P1684311) 4 > (P1684311) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 7.8667 -1.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1292 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -2.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1375 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -1.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7042 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -4.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.9792 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7667 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 18 1 0 0 0 0 14 6 2 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 26 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 16 2 0 0 0 0 28 16 1 0 0 0 0 29 20 1 0 0 0 0 30 21 2 0 0 0 0 31 30 1 0 0 0 0 32 28 2 0 0 0 0 33 27 1 0 0 0 0 34 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 31 22 2 0 0 0 0 19 25 1 0 0 0 0 34 33 2 0 0 0 0 M END > (P1684383) P1684383 > (P1684383) 1 > (P1684383) 6 > (P1684383) 6 > (P1684383) 1.600000000000000e+000 > (P1684383) 5 > (P1684383) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 0.7625 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0250 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0292 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8792 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 18 1 0 0 0 0 14 6 2 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 7 1 0 0 0 0 20 28 1 0 0 0 0 21 19 1 0 0 0 0 22 21 2 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 16 1 0 0 0 0 30 16 2 0 0 0 0 31 23 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 34 29 2 0 0 0 0 35 33 2 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 24 2 0 0 0 0 20 27 1 0 0 0 0 35 34 1 0 0 0 0 M END > (P1684386) P1684386 > (P1684386) 1 > (P1684386) 6 > (P1684386) 7 > (P1684386) 1.900000000000000e+000 > (P1684386) 5 > (P1684386) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 0.8250 -0.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -0.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0917 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6625 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 16 1 0 0 0 0 21 22 1 0 0 0 0 22 20 1 0 0 0 0 23 14 2 0 0 0 0 24 14 1 0 0 0 0 25 21 1 0 0 0 0 26 17 1 0 0 0 0 27 18 2 0 0 0 0 28 27 1 0 0 0 0 29 23 1 0 0 0 0 30 24 2 0 0 0 0 31 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 28 19 2 0 0 0 0 31 29 2 0 0 0 0 M END > (P1684387) P1684387 > (P1684387) 1 > (P1684387) 5 > (P1684387) 7 > (P1684387) 1.700000000000000e+000 > (P1684387) 4 > (P1684387) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 7.0417 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -6.2875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8375 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -4.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -7.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -4.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -9.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 21 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 4 1 0 0 0 0 18 5 1 0 0 0 0 19 10 1 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 22 10 1 0 0 0 0 23 15 1 0 0 0 0 24 16 1 0 0 0 0 25 20 2 0 0 0 0 26 25 1 0 0 0 0 4 2 2 0 0 0 0 26 22 2 0 0 0 0 M END > (P1684437) P1684437 > (P1684437) 1 > (P1684437) 6 > (P1684437) 8 > (P1684437) 2.500000000000000e+000 > (P1684437) 2 > (P1684437) 7.390000000000001e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 0.4042 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6625 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -1.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -1.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2417 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -3.9500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5167 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 18 1 0 0 0 0 14 6 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 32 1 0 0 0 0 20 15 1 0 0 0 0 21 15 2 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 25 2 0 0 0 0 25 21 1 0 0 0 0 26 20 2 0 0 0 0 27 9 1 0 0 0 0 28 24 1 0 0 0 0 29 13 1 0 0 0 0 30 13 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 28 1 0 0 0 0 34 22 1 0 0 0 0 35 23 2 0 0 0 0 36 35 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 27 36 2 0 0 0 0 26 24 1 0 0 0 0 19 31 1 0 0 0 0 M END > (P1684438) P1684438 > (P1684438) 1 > (P1684438) 7 > (P1684438) 7 > (P1684438) 1.600000000000000e+000 > (P1684438) 5 > (P1684438) 9.960000000000002e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 -0.2125 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -2.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 13 1 0 0 0 0 12 8 1 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 9 2 0 0 0 0 16 10 2 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 4 1 0 0 0 0 20 5 1 0 0 0 0 21 12 2 0 0 0 0 22 14 2 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 2 4 2 0 0 0 0 12 14 1 0 0 0 0 25 26 2 0 0 0 0 M END > (P1685138) P1685138 > (P1685138) 1 > (P1685138) 6 > (P1685138) 5 > (P1685138) 2.000000000000000e+000 > (P1685138) 3 > (P1685138) 7.390000000000001e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 0.8750 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -3.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3042 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -5.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -2.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5250 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -3.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 5 1 0 0 0 0 16 4 1 0 0 0 0 17 9 1 0 0 0 0 18 12 1 0 0 0 0 19 12 2 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 19 1 0 0 0 0 23 18 2 0 0 0 0 24 22 2 0 0 0 0 2 4 2 0 0 0 0 24 23 1 0 0 0 0 M END > (P1685141) P1685141 > (P1685141) 1 > (P1685141) 5 > (P1685141) 6 > (P1685141) 2.600000000000000e+000 > (P1685141) 2 > (P1685141) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.2458 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 -1.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3250 -1.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4667 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 6 2 0 0 0 0 13 3 1 0 0 0 0 14 17 1 0 0 0 0 15 5 1 0 0 0 0 16 4 1 0 0 0 0 17 13 2 0 0 0 0 18 10 1 0 0 0 0 19 9 1 0 0 0 0 20 26 1 0 0 0 0 21 13 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 21 2 0 0 0 0 4 2 2 0 0 0 0 14 20 2 0 0 0 0 M END > (P1685146) P1685146 > (P1685146) 1 > (P1685146) 6 > (P1685146) 7 > (P1685146) 2.200000000000000e+000 > (P1685146) 2 > (P1685146) 7.750000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 5.8542 -8.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -8.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -7.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5750 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -9.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -9.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -9.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -5.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9917 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -7.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -7.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -8.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -8.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -9.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 2 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 1 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 11 2 0 0 0 0 16 12 2 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 5 1 0 0 0 0 20 6 1 0 0 0 0 21 10 1 0 0 0 0 22 13 2 0 0 0 0 23 14 2 0 0 0 0 24 17 1 0 0 0 0 25 18 1 0 0 0 0 26 23 1 0 0 0 0 27 22 1 0 0 0 0 2 5 2 0 0 0 0 13 14 1 0 0 0 0 27 26 2 0 0 0 0 M END > (P1685148) P1685148 > (P1685148) 1 > (P1685148) 6 > (P1685148) 5 > (P1685148) 2.400000000000000e+000 > (P1685148) 3 > (P1685148) 7.390000000000001e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0833 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6417 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -3.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0625 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 2 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 1 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 11 2 0 0 0 0 16 12 2 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 5 1 0 0 0 0 20 6 1 0 0 0 0 21 10 1 0 0 0 0 22 13 2 0 0 0 0 23 14 2 0 0 0 0 24 17 1 0 0 0 0 25 18 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 2 5 2 0 0 0 0 13 14 1 0 0 0 0 29 28 2 0 0 0 0 M END > (P1685149) P1685149 > (P1685149) 1 > (P1685149) 6 > (P1685149) 7 > (P1685149) 3.100000000000000e+000 > (P1685149) 3 > (P1685149) 7.390000000000001e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 2.3917 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -2.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -1.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2500 -1.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6750 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 6 2 0 0 0 0 13 3 1 0 0 0 0 14 19 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 18 4 1 0 0 0 0 19 13 2 0 0 0 0 20 28 1 0 0 0 0 21 13 1 0 0 0 0 22 16 1 0 0 0 0 23 16 1 0 0 0 0 24 16 1 0 0 0 0 25 15 1 0 0 0 0 26 15 1 0 0 0 0 27 15 1 0 0 0 0 28 21 2 0 0 0 0 4 2 2 0 0 0 0 14 20 2 0 0 0 0 M END > (P1685150) P1685150 > (P1685150) 1 > (P1685150) 6 > (P1685150) 7 > (P1685150) 2.600000000000000e+000 > (P1685150) 2 > (P1685150) 7.750000000000000e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.3292 -1.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5792 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.6542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1667 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 18 2 0 0 0 0 22 8 1 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 24 1 0 0 0 0 26 9 1 0 0 0 0 27 16 1 0 0 0 0 28 29 1 0 0 0 0 29 27 1 0 0 0 0 30 25 1 0 0 0 0 31 28 1 0 0 0 0 32 22 2 0 0 0 0 33 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 26 2 0 0 0 0 25 23 2 0 0 0 0 M END > (P1685627) P1685627 > (P1685627) 1 > (P1685627) 5 > (P1685627) 8 > (P1685627) 2.500000000000000e+000 > (P1685627) 4 > (P1685627) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 2.9917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.8167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -1.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -0.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 0.4583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -2.8417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 10 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 21 1 0 0 0 0 23 17 1 0 0 0 0 24 19 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 8 5 2 0 0 0 0 20 22 1 0 0 0 0 13 11 1 0 0 0 0 M END > (P1685717) P1685717 > (P1685717) 1 > (P1685717) 6 > (P1685717) 8 > (P1685717) 4.800000000000000e+000 > (P1685717) 3 > (P1685717) 1.347000000000000e+002 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.3250 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -1.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.2958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -2.6042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 6 2 0 0 0 0 13 16 2 0 0 0 0 14 5 1 0 0 0 0 15 8 2 0 0 0 0 16 12 1 0 0 0 0 17 10 2 0 0 0 0 18 14 2 0 0 0 0 19 11 1 0 0 0 0 20 3 1 0 0 0 0 21 12 1 0 0 0 0 22 10 1 0 0 0 0 23 14 1 0 0 0 0 24 19 1 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 27 26 1 0 0 0 0 3 5 2 0 0 0 0 13 11 1 0 0 0 0 M END > (P1685757) P1685757 > (P1685757) 1 > (P1685757) 7 > (P1685757) 8 > (P1685757) 4.000000000000000e+000 > (P1685757) 2 > (P1685757) 1.518000000000000e+002 $$$$ -ISIS- 08092202382D 30 31 0 0 0 0 0 0 0 0999 V2000 -0.2333 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -2.1000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -1.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -3.5042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -3.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 4 1 0 0 0 0 13 6 2 0 0 0 0 14 16 2 0 0 0 0 15 8 2 0 0 0 0 16 13 1 0 0 0 0 17 10 2 0 0 0 0 18 12 2 0 0 0 0 19 11 1 0 0 0 0 20 3 1 0 0 0 0 21 13 1 0 0 0 0 22 10 1 0 0 0 0 23 12 1 0 0 0 0 24 19 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 3 4 2 0 0 0 0 14 11 1 0 0 0 0 M END > (P1685761) P1685761 > (P1685761) 1 > (P1685761) 8 > (P1685761) 11 > (P1685761) 4.800000000000000e+000 > (P1685761) 2 > (P1685761) 1.610000000000000e+002 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 2.3667 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -2.2292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 2.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 25 1 0 0 0 0 23 21 1 0 0 0 0 24 26 1 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 18 1 0 0 0 0 28 24 1 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 8 5 2 0 0 0 0 20 23 1 0 0 0 0 13 11 1 0 0 0 0 M END > (P1685808) P1685808 > (P1685808) 2 > (P1685808) 6 > (P1685808) 10 > (P1685808) 3.700000000000000e+000 > (P1685808) 3 > (P1685808) 1.468000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 1.3750 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -1.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -0.3250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -3.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 4 2 0 0 0 0 13 15 2 0 0 0 0 14 6 2 0 0 0 0 15 12 1 0 0 0 0 16 8 2 0 0 0 0 17 8 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 7 1 0 0 0 0 21 10 1 0 0 0 0 22 17 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 20 2 0 0 0 0 26 21 2 0 0 0 0 27 23 2 0 0 0 0 28 22 1 0 0 0 0 29 27 1 0 0 0 0 10 7 2 0 0 0 0 25 26 1 0 0 0 0 28 29 2 0 0 0 0 13 11 1 0 0 0 0 M END > (P1685835) P1685835 > (P1685835) 1 > (P1685835) 5 > (P1685835) 5 > (P1685835) 5.000000000000000e+000 > (P1685835) 4 > (P1685835) 1.104000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 1.6792 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -0.3875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -3.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -1.4542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 5 1 0 0 0 0 13 4 2 0 0 0 0 14 17 2 0 0 0 0 15 5 2 0 0 0 0 16 7 2 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 19 18 2 0 0 0 0 20 11 1 0 0 0 0 21 13 1 0 0 0 0 22 19 1 0 0 0 0 23 22 1 0 0 0 0 24 8 1 0 0 0 0 25 10 1 0 0 0 0 26 27 2 0 0 0 0 27 18 1 0 0 0 0 28 26 1 0 0 0 0 29 20 1 0 0 0 0 30 24 2 0 0 0 0 31 25 2 0 0 0 0 10 8 2 0 0 0 0 30 31 1 0 0 0 0 22 28 2 0 0 0 0 14 11 1 0 0 0 0 M END > (P1685839) P1685839 > (P1685839) 2 > (P1685839) 5 > (P1685839) 5 > (P1685839) 5.000000000000000e+000 > (P1685839) 4 > (P1685839) 1.224000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 0.7042 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -0.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -3.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 4 2 0 0 0 0 13 5 1 0 0 0 0 14 17 2 0 0 0 0 15 5 2 0 0 0 0 16 7 2 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 8 1 0 0 0 0 22 10 1 0 0 0 0 23 18 1 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 21 2 0 0 0 0 27 22 2 0 0 0 0 28 25 2 0 0 0 0 29 24 1 0 0 0 0 30 28 1 0 0 0 0 10 8 2 0 0 0 0 26 27 1 0 0 0 0 29 30 2 0 0 0 0 14 11 1 0 0 0 0 M END > (P1685845) P1685845 > (P1685845) 2 > (P1685845) 5 > (P1685845) 5 > (P1685845) 4.400000000000000e+000 > (P1685845) 4 > (P1685845) 1.224000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 1.2792 -1.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5417 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5500 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8167 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -4.6375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0208 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 15 11 2 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 12 1 0 0 0 0 19 10 2 0 0 0 0 20 18 1 0 0 0 0 21 11 1 0 0 0 0 22 5 1 0 0 0 0 23 21 2 0 0 0 0 24 3 1 0 0 0 0 25 7 1 0 0 0 0 26 24 1 0 0 0 0 27 8 1 0 0 0 0 28 30 1 0 0 0 0 29 9 1 0 0 0 0 30 26 1 0 0 0 0 31 20 1 0 0 0 0 32 28 1 0 0 0 0 33 28 1 0 0 0 0 34 25 1 0 0 0 0 35 27 2 0 0 0 0 36 35 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 36 29 2 0 0 0 0 12 14 2 0 0 0 0 13 20 1 0 0 0 0 M END > (P1685946) P1685946 > (P1685946) 1 > (P1685946) 6 > (P1685946) 7 > (P1685946) 2.500000000000000e+000 > (P1685946) 5 > (P1685946) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 0.7542 -0.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0250 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 1.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 20 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 18 2 0 0 0 0 21 3 1 0 0 0 0 22 7 1 0 0 0 0 23 13 1 0 0 0 0 24 8 1 0 0 0 0 25 9 1 0 0 0 0 26 28 1 0 0 0 0 27 17 1 0 0 0 0 28 21 1 0 0 0 0 29 26 1 0 0 0 0 30 22 1 0 0 0 0 31 24 2 0 0 0 0 32 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 25 2 0 0 0 0 13 17 2 0 0 0 0 M END > (P1685948) P1685948 > (P1685948) 1 > (P1685948) 5 > (P1685948) 6 > (P1685948) 2.400000000000000e+000 > (P1685948) 4 > (P1685948) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 0.8250 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -2.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.9250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -3.8375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 8 5 2 0 0 0 0 24 25 1 0 0 0 0 13 11 1 0 0 0 0 M END > (P1685955) P1685955 > (P1685955) 2 > (P1685955) 5 > (P1685955) 5 > (P1685955) 3.700000000000000e+000 > (P1685955) 3 > (P1685955) 1.375000000000000e+002 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 0.2375 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4917 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.4875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4958 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -1.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 3.0083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 23 17 1 0 0 0 0 24 21 1 0 0 0 0 25 9 1 0 0 0 0 26 16 1 0 0 0 0 27 28 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 19 1 0 0 0 0 31 20 2 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 25 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P1686024) P1686024 > (P1686024) 1 > (P1686024) 5 > (P1686024) 9 > (P1686024) 3.400000000000000e+000 > (P1686024) 4 > (P1686024) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 1.3875 -1.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6417 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -2.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6500 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.8292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2250 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -4.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 16 1 0 0 0 0 19 8 1 0 0 0 0 20 22 1 0 0 0 0 21 9 1 0 0 0 0 22 18 1 0 0 0 0 23 14 1 0 0 0 0 24 14 2 0 0 0 0 25 20 1 0 0 0 0 26 20 1 0 0 0 0 27 17 1 0 0 0 0 28 19 2 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 23 2 0 0 0 0 33 24 1 0 0 0 0 34 33 2 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 30 21 2 0 0 0 0 34 32 1 0 0 0 0 M END > (P1686163) P1686163 > (P1686163) 1 > (P1686163) 5 > (P1686163) 9 > (P1686163) 3.000000000000000e+000 > (P1686163) 4 > (P1686163) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 0.3000 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -0.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.2833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -2.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 4 2 0 0 0 0 13 5 1 0 0 0 0 14 17 2 0 0 0 0 15 5 2 0 0 0 0 16 7 2 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 8 1 0 0 0 0 22 10 1 0 0 0 0 23 18 1 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 21 2 0 0 0 0 27 23 1 0 0 0 0 28 22 2 0 0 0 0 29 25 2 0 0 0 0 30 24 1 0 0 0 0 31 29 1 0 0 0 0 10 8 2 0 0 0 0 26 28 1 0 0 0 0 30 31 2 0 0 0 0 14 11 1 0 0 0 0 M END > (P1686416) P1686416 > (P1686416) 2 > (P1686416) 5 > (P1686416) 6 > (P1686416) 4.700000000000000e+000 > (P1686416) 4 > (P1686416) 1.224000000000000e+002 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.3583 -1.3875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1000 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0958 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -1.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5208 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 2.0083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1667 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 15 11 2 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 12 1 0 0 0 0 19 10 2 0 0 0 0 20 18 1 0 0 0 0 21 11 1 0 0 0 0 22 5 1 0 0 0 0 23 21 2 0 0 0 0 24 3 1 0 0 0 0 25 7 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 30 1 0 0 0 0 29 20 1 0 0 0 0 30 24 1 0 0 0 0 31 28 1 0 0 0 0 32 25 1 0 0 0 0 33 26 2 0 0 0 0 34 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 27 2 0 0 0 0 12 14 2 0 0 0 0 13 20 1 0 0 0 0 M END > (P1686427) P1686427 > (P1686427) 1 > (P1686427) 6 > (P1686427) 6 > (P1686427) 2.100000000000000e+000 > (P1686427) 5 > (P1686427) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 1.6917 -0.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9500 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9625 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.6875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5292 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -2.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 19 1 0 0 0 0 18 7 1 0 0 0 0 19 11 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 17 1 0 0 0 0 23 15 1 0 0 0 0 24 15 2 0 0 0 0 25 19 1 0 0 0 0 26 18 1 0 0 0 0 27 20 2 0 0 0 0 28 27 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 24 1 0 0 0 0 32 23 2 0 0 0 0 33 31 2 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 28 21 2 0 0 0 0 29 22 1 0 0 0 0 33 32 1 0 0 0 0 M END > (P1687119) P1687119 > (P1687119) 1 > (P1687119) 5 > (P1687119) 6 > (P1687119) 2.700000000000000e+000 > (P1687119) 5 > (P1687119) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 1.3917 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.3958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -2.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 12 2 0 0 0 0 11 2 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 8 1 0 0 0 0 17 4 1 0 0 0 0 18 7 1 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 23 1 0 0 0 0 23 18 2 0 0 0 0 24 21 1 0 0 0 0 10 6 1 0 0 0 0 17 22 2 0 0 0 0 M END > (P1687169) P1687169 > (P1687169) 1 > (P1687169) 6 > (P1687169) 7 > (P1687169) 3.700000000000000e+000 > (P1687169) 2 > (P1687169) 1.065000000000000e+002 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 -0.3083 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 0.4083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5250 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -1.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -2.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -2.4542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 10 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 18 2 0 0 0 0 14 4 2 0 0 0 0 15 8 1 0 0 0 0 16 7 2 0 0 0 0 17 7 2 0 0 0 0 18 14 1 0 0 0 0 19 8 2 0 0 0 0 20 10 2 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 7 1 0 0 0 0 24 11 1 0 0 0 0 25 12 1 0 0 0 0 26 22 2 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 24 2 0 0 0 0 30 25 2 0 0 0 0 31 28 1 0 0 0 0 32 27 2 0 0 0 0 33 26 1 0 0 0 0 34 32 1 0 0 0 0 12 11 2 0 0 0 0 29 30 1 0 0 0 0 33 34 2 0 0 0 0 13 3 1 0 0 0 0 M END > (P1687196) P1687196 > (P1687196) 2 > (P1687196) 6 > (P1687196) 7 > (P1687196) 4.200000000000000e+000 > (P1687196) 4 > (P1687196) 1.396000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.5708 -0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5708 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 0.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8500 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -1.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1375 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 14 2 0 0 0 0 12 2 2 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 17 2 0 0 0 0 16 8 2 0 0 0 0 17 19 1 0 0 0 0 18 8 1 0 0 0 0 19 13 2 0 0 0 0 20 6 2 0 0 0 0 21 7 2 0 0 0 0 22 9 1 0 0 0 0 23 11 1 0 0 0 0 24 15 1 0 0 0 0 25 18 1 0 0 0 0 26 20 1 0 0 0 0 27 26 2 0 0 0 0 3 5 1 0 0 0 0 21 27 1 0 0 0 0 11 15 1 0 0 0 0 M END > (P1687305) P1687305 > (P1687305) 0 > (P1687305) 5 > (P1687305) 5 > (P1687305) 3.800000000000000e+000 > (P1687305) 3 > (P1687305) 6.509999999999999e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 1.8917 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -0.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 0.5875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2042 -1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.2875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -4.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 9 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 6 1 0 0 0 0 13 18 2 0 0 0 0 14 4 2 0 0 0 0 15 11 1 0 0 0 0 16 7 2 0 0 0 0 17 7 2 0 0 0 0 18 14 1 0 0 0 0 19 9 2 0 0 0 0 20 11 2 0 0 0 0 21 15 2 0 0 0 0 22 15 1 0 0 0 0 23 14 1 0 0 0 0 24 7 1 0 0 0 0 25 26 1 0 0 0 0 26 22 2 0 0 0 0 27 21 1 0 0 0 0 28 25 1 0 0 0 0 29 10 1 0 0 0 0 30 12 1 0 0 0 0 31 29 2 0 0 0 0 32 30 2 0 0 0 0 12 10 2 0 0 0 0 27 25 2 0 0 0 0 31 32 1 0 0 0 0 13 3 1 0 0 0 0 M END > (P1687543) P1687543 > (P1687543) 1 > (P1687543) 6 > (P1687543) 5 > (P1687543) 4.200000000000000e+000 > (P1687543) 4 > (P1687543) 1.276000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.2375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -2.3375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -2.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -3.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.9375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -3.8125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 23 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 22 1 0 0 0 0 28 24 1 0 0 0 0 8 5 2 0 0 0 0 25 26 1 0 0 0 0 13 11 1 0 0 0 0 M END > (P1687560) P1687560 > (P1687560) 2 > (P1687560) 5 > (P1687560) 7 > (P1687560) 4.600000000000000e+000 > (P1687560) 3 > (P1687560) 1.375000000000000e+002 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 4.4542 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -7.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -6.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -6.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -7.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -5.9917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -8.8625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -5.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 10 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 8 5 2 0 0 0 0 13 11 1 0 0 0 0 M END > (P1687672) P1687672 > (P1687672) 1 > (P1687672) 6 > (P1687672) 7 > (P1687672) 4.000000000000000e+000 > (P1687672) 2 > (P1687672) 1.347000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 4.5125 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -6.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -5.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -6.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -6.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -6.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -4.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -5.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -8.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 18 1 0 0 0 0 23 17 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 5 8 2 0 0 0 0 25 24 1 0 0 0 0 11 13 1 0 0 0 0 M END > (P1687791) P1687791 > (P1687791) 2 > (P1687791) 5 > (P1687791) 5 > (P1687791) 3.700000000000000e+000 > (P1687791) 3 > (P1687791) 1.375000000000000e+002 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 5.3792 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -6.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -6.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -5.4792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.6292 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -6.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -6.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -7.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -6.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -8.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 18 2 0 0 0 0 13 2 1 0 0 0 0 14 7 2 0 0 0 0 15 5 1 0 0 0 0 16 9 2 0 0 0 0 17 9 2 0 0 0 0 18 14 1 0 0 0 0 19 10 2 0 0 0 0 20 13 2 0 0 0 0 21 15 2 0 0 0 0 22 3 1 0 0 0 0 23 14 1 0 0 0 0 24 9 1 0 0 0 0 25 13 1 0 0 0 0 26 15 1 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 3 5 2 0 0 0 0 12 6 1 0 0 0 0 M END > (P1687889) P1687889 > (P1687889) 1 > (P1687889) 8 > (P1687889) 7 > (P1687889) 2.500000000000000e+000 > (P1687889) 2 > (P1687889) 1.690000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.4333 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -1.5875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.9083 -2.9792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -4.4542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 9 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 17 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 6 2 0 0 0 0 17 14 1 0 0 0 0 18 9 2 0 0 0 0 19 12 2 0 0 0 0 20 12 1 0 0 0 0 21 14 1 0 0 0 0 22 6 1 0 0 0 0 23 8 1 0 0 0 0 24 11 1 0 0 0 0 25 20 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 11 8 2 0 0 0 0 26 27 1 0 0 0 0 13 3 1 0 0 0 0 M END > (P1687898) P1687898 > (P1687898) 2 > (P1687898) 6 > (P1687898) 4 > (P1687898) 2.400000000000000e+000 > (P1687898) 3 > (P1687898) 1.547000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 -0.3833 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3875 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -4.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -3.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -4.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 10 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 18 2 0 0 0 0 14 4 2 0 0 0 0 15 8 1 0 0 0 0 16 7 2 0 0 0 0 17 7 2 0 0 0 0 18 14 1 0 0 0 0 19 8 2 0 0 0 0 20 10 2 0 0 0 0 21 15 1 0 0 0 0 22 14 1 0 0 0 0 23 7 1 0 0 0 0 24 28 1 0 0 0 0 25 11 1 0 0 0 0 26 21 2 0 0 0 0 27 21 1 0 0 0 0 28 27 2 0 0 0 0 29 26 1 0 0 0 0 30 12 1 0 0 0 0 31 24 1 0 0 0 0 32 25 2 0 0 0 0 33 30 2 0 0 0 0 12 11 2 0 0 0 0 32 33 1 0 0 0 0 29 24 2 0 0 0 0 13 3 1 0 0 0 0 M END > (P1687905) P1687905 > (P1687905) 2 > (P1687905) 6 > (P1687905) 5 > (P1687905) 3.800000000000000e+000 > (P1687905) 4 > (P1687905) 1.396000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 1.1375 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -0.2667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.6625 -1.6667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -3.1417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 9 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 19 2 0 0 0 0 14 4 2 0 0 0 0 15 12 1 0 0 0 0 16 26 1 0 0 0 0 17 6 2 0 0 0 0 18 6 2 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 9 2 0 0 0 0 22 12 2 0 0 0 0 23 16 2 0 0 0 0 24 20 1 0 0 0 0 25 23 1 0 0 0 0 26 15 1 0 0 0 0 27 14 1 0 0 0 0 28 6 1 0 0 0 0 29 8 1 0 0 0 0 30 11 1 0 0 0 0 31 30 1 0 0 0 0 8 11 2 0 0 0 0 31 29 1 0 0 0 0 3 13 1 0 0 0 0 25 24 2 0 0 0 0 M END > (P1687914) P1687914 > (P1687914) 2 > (P1687914) 6 > (P1687914) 6 > (P1687914) 2.700000000000000e+000 > (P1687914) 4 > (P1687914) 1.679000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 0.4125 -1.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6667 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -2.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -1.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2500 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 1.8208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9417 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 15 11 2 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 12 1 0 0 0 0 19 10 2 0 0 0 0 20 18 1 0 0 0 0 21 11 1 0 0 0 0 22 5 1 0 0 0 0 23 21 2 0 0 0 0 24 3 1 0 0 0 0 25 7 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 30 1 0 0 0 0 29 20 1 0 0 0 0 30 24 1 0 0 0 0 31 28 1 0 0 0 0 32 25 1 0 0 0 0 33 26 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 27 35 2 0 0 0 0 12 14 2 0 0 0 0 13 20 1 0 0 0 0 M END > (P1688673) P1688673 > (P1688673) 1 > (P1688673) 6 > (P1688673) 8 > (P1688673) 3.100000000000000e+000 > (P1688673) 5 > (P1688673) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 2.7000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -0.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 0.4208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.6667 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -0.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 1.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.4250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 9 2 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 14 1 0 0 0 0 12 4 2 0 0 0 0 13 4 2 0 0 0 0 14 8 2 0 0 0 0 15 5 2 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 4 1 0 0 0 0 19 10 1 0 0 0 0 20 6 1 0 0 0 0 21 9 1 0 0 0 0 22 19 1 0 0 0 0 23 18 1 0 0 0 0 24 25 1 0 0 0 0 25 21 2 0 0 0 0 2 11 2 0 0 0 0 20 24 2 0 0 0 0 M END > (P1688860) P1688860 > (P1688860) 1 > (P1688860) 7 > (P1688860) 6 > (P1688860) 2.200000000000000e+000 > (P1688860) 2 > (P1688860) 1.237000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 0.2917 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -2.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -0.8750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.7542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 16 2 0 0 0 0 14 7 2 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 15 1 0 0 0 0 21 5 1 0 0 0 0 22 8 1 0 0 0 0 23 20 1 0 0 0 0 24 18 1 0 0 0 0 25 23 2 0 0 0 0 26 23 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 26 2 0 0 0 0 30 25 1 0 0 0 0 31 29 1 0 0 0 0 8 5 2 0 0 0 0 27 28 1 0 0 0 0 13 11 1 0 0 0 0 30 31 2 0 0 0 0 M END > (P1688942) P1688942 > (P1688942) 2 > (P1688942) 5 > (P1688942) 6 > (P1688942) 5.000000000000000e+000 > (P1688942) 4 > (P1688942) 1.375000000000000e+002 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 3.8125 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.0625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7750 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.7917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 9 2 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 14 1 0 0 0 0 12 4 2 0 0 0 0 13 4 2 0 0 0 0 14 8 2 0 0 0 0 15 5 2 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 4 1 0 0 0 0 19 10 1 0 0 0 0 20 6 1 0 0 0 0 21 9 1 0 0 0 0 22 19 1 0 0 0 0 23 18 1 0 0 0 0 24 25 1 0 0 0 0 25 21 2 0 0 0 0 26 23 1 0 0 0 0 2 11 2 0 0 0 0 20 24 2 0 0 0 0 M END > (P1689078) P1689078 > (P1689078) 1 > (P1689078) 7 > (P1689078) 7 > (P1689078) 2.700000000000000e+000 > (P1689078) 2 > (P1689078) 1.237000000000000e+002 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 1.5792 -0.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8417 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8542 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.5750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4250 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4917 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 31 1 0 0 0 0 20 19 2 0 0 0 0 21 7 1 0 0 0 0 22 16 1 0 0 0 0 23 8 1 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 26 17 1 0 0 0 0 27 18 2 0 0 0 0 28 9 1 0 0 0 0 29 25 1 0 0 0 0 30 22 1 0 0 0 0 31 29 1 0 0 0 0 32 24 1 0 0 0 0 33 24 1 0 0 0 0 34 21 1 0 0 0 0 35 23 2 0 0 0 0 36 35 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 36 28 2 0 0 0 0 25 26 2 0 0 0 0 M END > (P1689316) P1689316 > (P1689316) 1 > (P1689316) 6 > (P1689316) 10 > (P1689316) 2.600000000000000e+000 > (P1689316) 4 > (P1689316) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.7875 -0.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0500 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.3625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6250 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 3.1458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 18 2 0 0 0 0 22 8 1 0 0 0 0 23 25 1 0 0 0 0 24 19 1 0 0 0 0 25 20 2 0 0 0 0 26 23 1 0 0 0 0 27 9 1 0 0 0 0 28 16 1 0 0 0 0 29 30 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 22 2 0 0 0 0 33 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 27 2 0 0 0 0 23 24 2 0 0 0 0 M END > (P1689341) P1689341 > (P1689341) 1 > (P1689341) 5 > (P1689341) 8 > (P1689341) 2.700000000000000e+000 > (P1689341) 4 > (P1689341) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 0.2292 -1.3875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4875 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4958 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5542 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 2.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 21 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 7 1 0 0 0 0 21 11 1 0 0 0 0 22 8 1 0 0 0 0 23 24 1 0 0 0 0 24 19 2 0 0 0 0 25 18 1 0 0 0 0 26 23 1 0 0 0 0 27 9 1 0 0 0 0 28 17 1 0 0 0 0 29 21 1 0 0 0 0 30 20 1 0 0 0 0 31 22 2 0 0 0 0 32 31 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 27 2 0 0 0 0 33 28 1 0 0 0 0 23 25 2 0 0 0 0 M END > (P1689342) P1689342 > (P1689342) 1 > (P1689342) 5 > (P1689342) 6 > (P1689342) 3.400000000000000e+000 > (P1689342) 5 > (P1689342) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 6.6375 -4.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8917 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -4.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9042 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -4.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4750 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -3.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -7.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8500 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -0.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 24 1 0 0 0 0 23 28 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 9 1 0 0 0 0 28 20 1 0 0 0 0 29 23 1 0 0 0 0 30 23 1 0 0 0 0 31 19 1 0 0 0 0 32 21 2 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 27 2 0 0 0 0 22 25 2 0 0 0 0 M END > (P1689501) P1689501 > (P1689501) 1 > (P1689501) 5 > (P1689501) 8 > (P1689501) 2.700000000000000e+000 > (P1689501) 4 > (P1689501) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 0.8292 -1.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6667 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -4.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9375 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -5.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.2750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 18 1 0 0 0 0 14 6 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 7 1 0 0 0 0 20 34 1 0 0 0 0 21 19 1 0 0 0 0 22 15 2 0 0 0 0 23 15 1 0 0 0 0 24 21 2 0 0 0 0 25 8 1 0 0 0 0 26 27 1 0 0 0 0 27 23 2 0 0 0 0 28 22 1 0 0 0 0 29 26 1 0 0 0 0 30 9 1 0 0 0 0 31 13 1 0 0 0 0 32 13 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 25 2 0 0 0 0 36 35 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 36 30 2 0 0 0 0 28 26 2 0 0 0 0 33 20 1 0 0 0 0 M END > (P1689585) P1689585 > (P1689585) 1 > (P1689585) 6 > (P1689585) 7 > (P1689585) 2.100000000000000e+000 > (P1689585) 5 > (P1689585) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 -0.4000 -1.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.9417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1333 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5625 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 2.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 23 1 0 0 0 0 22 17 1 0 0 0 0 23 18 2 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 21 1 0 0 0 0 27 28 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 19 1 0 0 0 0 32 20 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 29 1 0 0 0 0 36 33 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 34 24 2 0 0 0 0 22 21 2 0 0 0 0 M END > (P1689586) P1689586 > (P1689586) 1 > (P1689586) 6 > (P1689586) 11 > (P1689586) 3.100000000000000e+000 > (P1689586) 4 > (P1689586) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 3.5375 -1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7875 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -1.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8042 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3750 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -4.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9667 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 27 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 3 1 0 0 0 0 18 32 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 7 1 0 0 0 0 22 17 1 0 0 0 0 23 8 1 0 0 0 0 24 20 2 0 0 0 0 25 19 1 0 0 0 0 26 24 1 0 0 0 0 27 22 1 0 0 0 0 28 9 1 0 0 0 0 29 14 1 0 0 0 0 30 14 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 26 1 0 0 0 0 34 21 1 0 0 0 0 35 23 2 0 0 0 0 36 35 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 36 28 2 0 0 0 0 25 26 2 0 0 0 0 31 18 1 0 0 0 0 M END > (P1689602) P1689602 > (P1689602) 1 > (P1689602) 6 > (P1689602) 7 > (P1689602) 2.200000000000000e+000 > (P1689602) 5 > (P1689602) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.4167 -2.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6750 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -3.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6875 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -3.1042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2542 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -3.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 23 17 1 0 0 0 0 24 9 1 0 0 0 0 25 21 1 0 0 0 0 26 27 1 0 0 0 0 27 16 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 19 1 0 0 0 0 31 20 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 24 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P1689936) P1689936 > (P1689936) 1 > (P1689936) 6 > (P1689936) 8 > (P1689936) 2.200000000000000e+000 > (P1689936) 4 > (P1689936) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 0.7125 -1.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -1.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0208 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -1.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5500 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -1.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 27 1 0 0 0 0 27 25 1 0 0 0 0 28 23 1 0 0 0 0 29 26 1 0 0 0 0 30 19 1 0 0 0 0 31 20 2 0 0 0 0 32 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 24 2 0 0 0 0 23 22 2 0 0 0 0 M END > (P1689937) P1689937 > (P1689937) 1 > (P1689937) 5 > (P1689937) 7 > (P1689937) 2.200000000000000e+000 > (P1689937) 4 > (P1689937) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 0.8375 -1.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0917 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1000 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6750 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 7 1 0 0 0 0 17 3 1 0 0 0 0 18 16 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 18 2 0 0 0 0 22 8 1 0 0 0 0 23 24 1 0 0 0 0 24 20 2 0 0 0 0 25 19 1 0 0 0 0 26 9 1 0 0 0 0 27 23 1 0 0 0 0 28 29 1 0 0 0 0 29 17 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 22 2 0 0 0 0 33 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 26 2 0 0 0 0 23 25 2 0 0 0 0 M END > (P1689940) P1689940 > (P1689940) 1 > (P1689940) 6 > (P1689940) 8 > (P1689940) 1.900000000000000e+000 > (P1689940) 4 > (P1689940) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 5.5667 -6.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8250 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -7.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8292 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -7.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4042 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 23 17 1 0 0 0 0 24 9 1 0 0 0 0 25 21 1 0 0 0 0 26 27 1 0 0 0 0 27 16 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 19 1 0 0 0 0 31 20 2 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 24 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P1689942) P1689942 > (P1689942) 1 > (P1689942) 6 > (P1689942) 9 > (P1689942) 2.600000000000000e+000 > (P1689942) 4 > (P1689942) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 1.5792 -1.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8375 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8500 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -1.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 7 1 0 0 0 0 17 3 1 0 0 0 0 18 16 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 18 2 0 0 0 0 22 8 1 0 0 0 0 23 19 2 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 26 9 1 0 0 0 0 27 28 1 0 0 0 0 28 17 1 0 0 0 0 29 25 1 0 0 0 0 30 27 1 0 0 0 0 31 22 2 0 0 0 0 32 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 26 2 0 0 0 0 25 23 1 0 0 0 0 M END > (P1690657) P1690657 > (P1690657) 1 > (P1690657) 5 > (P1690657) 7 > (P1690657) 2.400000000000000e+000 > (P1690657) 4 > (P1690657) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 2.3167 -0.3375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.8292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5917 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -0.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6417 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 7 1 0 0 0 0 20 11 1 0 0 0 0 21 20 1 0 0 0 0 22 8 1 0 0 0 0 23 18 2 0 0 0 0 24 17 1 0 0 0 0 25 23 1 0 0 0 0 26 9 1 0 0 0 0 27 21 1 0 0 0 0 28 21 1 0 0 0 0 29 25 1 0 0 0 0 30 19 1 0 0 0 0 31 22 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 32 26 2 0 0 0 0 25 24 2 0 0 0 0 M END > (P1690807) P1690807 > (P1690807) 1 > (P1690807) 5 > (P1690807) 7 > (P1690807) 3.000000000000000e+000 > (P1690807) 4 > (P1690807) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 1.3042 -1.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5625 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -1.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5750 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -1.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1417 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 2.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 20 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 18 2 0 0 0 0 21 3 1 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 25 17 1 0 0 0 0 26 28 1 0 0 0 0 27 14 1 0 0 0 0 28 21 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 22 1 0 0 0 0 32 23 2 0 0 0 0 33 32 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 33 24 2 0 0 0 0 14 17 2 0 0 0 0 M END > (P1690809) P1690809 > (P1690809) 1 > (P1690809) 6 > (P1690809) 7 > (P1690809) 2.200000000000000e+000 > (P1690809) 4 > (P1690809) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 3.4625 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.3542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 6 2 0 0 0 0 17 7 2 0 0 0 0 18 15 1 0 0 0 0 19 15 2 0 0 0 0 20 10 1 0 0 0 0 21 25 2 0 0 0 0 22 11 1 0 0 0 0 23 12 1 0 0 0 0 24 18 2 0 0 0 0 25 19 1 0 0 0 0 26 21 1 0 0 0 0 27 5 1 0 0 0 0 28 8 1 0 0 0 0 29 20 1 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 32 27 2 0 0 0 0 33 28 2 0 0 0 0 5 8 2 0 0 0 0 24 21 1 0 0 0 0 33 32 1 0 0 0 0 11 10 2 0 0 0 0 M END > (P1690922) P1690922 > (P1690922) 1 > (P1690922) 5 > (P1690922) 7 > (P1690922) 4.800000000000000e+000 > (P1690922) 4 > (P1690922) 8.700000000000000e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 2.6917 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9417 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.9500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9625 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.6250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3875 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 24 1 0 0 0 0 23 9 1 0 0 0 0 24 20 1 0 0 0 0 25 14 2 0 0 0 0 26 14 1 0 0 0 0 27 22 1 0 0 0 0 28 22 1 0 0 0 0 29 21 2 0 0 0 0 30 29 1 0 0 0 0 31 26 2 0 0 0 0 32 25 1 0 0 0 0 33 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 30 23 2 0 0 0 0 33 32 2 0 0 0 0 M END > (P1690978) P1690978 > (P1690978) 1 > (P1690978) 5 > (P1690978) 8 > (P1690978) 2.300000000000000e+000 > (P1690978) 4 > (P1690978) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 2.3542 -0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6125 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 16 1 0 0 0 0 19 8 1 0 0 0 0 20 22 1 0 0 0 0 21 9 1 0 0 0 0 22 18 1 0 0 0 0 23 14 2 0 0 0 0 24 14 1 0 0 0 0 25 20 1 0 0 0 0 26 20 1 0 0 0 0 27 17 1 0 0 0 0 28 19 2 0 0 0 0 29 28 1 0 0 0 0 30 27 1 0 0 0 0 31 24 2 0 0 0 0 32 23 1 0 0 0 0 33 31 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 29 21 2 0 0 0 0 33 32 2 0 0 0 0 M END > (P1691031) P1691031 > (P1691031) 1 > (P1691031) 5 > (P1691031) 8 > (P1691031) 2.500000000000000e+000 > (P1691031) 4 > (P1691031) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 0.4500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -5.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -4.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -4.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -5.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -3.7167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -6.6292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 10 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 5 8 2 0 0 0 0 13 11 1 0 0 0 0 M END > (P1691598) P1691598 > (P1691598) 1 > (P1691598) 6 > (P1691598) 8 > (P1691598) 4.500000000000000e+000 > (P1691598) 2 > (P1691598) 1.347000000000000e+002 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 3.0667 -0.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3292 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9042 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -3.7792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7750 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 18 2 0 0 0 0 22 7 1 0 0 0 0 23 20 1 0 0 0 0 24 8 1 0 0 0 0 25 28 1 0 0 0 0 26 9 1 0 0 0 0 27 17 1 0 0 0 0 28 23 1 0 0 0 0 29 14 1 0 0 0 0 30 25 1 0 0 0 0 31 25 1 0 0 0 0 32 27 1 0 0 0 0 33 22 1 0 0 0 0 34 24 2 0 0 0 0 35 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 35 26 2 0 0 0 0 17 14 2 0 0 0 0 M END > (P1691695) P1691695 > (P1691695) 1 > (P1691695) 6 > (P1691695) 8 > (P1691695) 2.500000000000000e+000 > (P1691695) 4 > (P1691695) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 0.8250 -1.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0875 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6625 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 1.3458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1500 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 10 2 0 0 0 0 18 22 1 0 0 0 0 19 11 1 0 0 0 0 20 5 1 0 0 0 0 21 25 1 0 0 0 0 22 19 2 0 0 0 0 23 7 1 0 0 0 0 24 14 1 0 0 0 0 25 12 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 21 1 0 0 0 0 29 18 1 0 0 0 0 30 25 1 0 0 0 0 31 23 1 0 0 0 0 32 26 2 0 0 0 0 33 32 1 0 0 0 0 34 30 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 27 2 0 0 0 0 34 28 1 0 0 0 0 14 18 2 0 0 0 0 M END > (P1691697) P1691697 > (P1691697) 1 > (P1691697) 5 > (P1691697) 5 > (P1691697) 2.900000000000000e+000 > (P1691697) 5 > (P1691697) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 0.4500 -0.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7042 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2833 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2875 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 2.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9792 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 15 11 2 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 12 1 0 0 0 0 19 10 2 0 0 0 0 20 18 1 0 0 0 0 21 11 1 0 0 0 0 22 5 1 0 0 0 0 23 21 2 0 0 0 0 24 3 1 0 0 0 0 25 7 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 30 1 0 0 0 0 29 20 1 0 0 0 0 30 24 1 0 0 0 0 31 28 1 0 0 0 0 32 25 1 0 0 0 0 33 26 2 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 27 2 0 0 0 0 12 14 2 0 0 0 0 13 20 1 0 0 0 0 M END > (P1691699) P1691699 > (P1691699) 1 > (P1691699) 6 > (P1691699) 7 > (P1691699) 2.600000000000000e+000 > (P1691699) 5 > (P1691699) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 0.3250 -0.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5875 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -0.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4000 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -0.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1667 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.0958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -3.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 18 2 0 0 0 0 22 7 1 0 0 0 0 23 13 1 0 0 0 0 24 8 1 0 0 0 0 25 9 1 0 0 0 0 26 20 1 0 0 0 0 27 29 1 0 0 0 0 28 17 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 22 1 0 0 0 0 32 24 2 0 0 0 0 33 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 33 25 2 0 0 0 0 13 17 2 0 0 0 0 M END > (P1691704) P1691704 > (P1691704) 1 > (P1691704) 5 > (P1691704) 7 > (P1691704) 2.400000000000000e+000 > (P1691704) 4 > (P1691704) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 0.4500 -0.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2750 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2917 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 2.2583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -3.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 18 2 0 0 0 0 22 7 1 0 0 0 0 23 20 1 0 0 0 0 24 13 1 0 0 0 0 25 8 1 0 0 0 0 26 28 1 0 0 0 0 27 9 1 0 0 0 0 28 23 1 0 0 0 0 29 17 1 0 0 0 0 30 26 1 0 0 0 0 31 26 1 0 0 0 0 32 22 1 0 0 0 0 33 25 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 35 27 2 0 0 0 0 13 17 2 0 0 0 0 M END > (P1691705) P1691705 > (P1691705) 1 > (P1691705) 5 > (P1691705) 9 > (P1691705) 3.700000000000000e+000 > (P1691705) 4 > (P1691705) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 5.0000 -6.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -7.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2667 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -7.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8375 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -5.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -8.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -9.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 18 2 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 25 17 1 0 0 0 0 26 20 1 0 0 0 0 27 29 1 0 0 0 0 28 14 1 0 0 0 0 29 26 1 0 0 0 0 30 25 1 0 0 0 0 31 27 1 0 0 0 0 32 22 1 0 0 0 0 33 23 2 0 0 0 0 34 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 24 2 0 0 0 0 17 14 2 0 0 0 0 M END > (P1691959) P1691959 > (P1691959) 1 > (P1691959) 6 > (P1691959) 8 > (P1691959) 2.200000000000000e+000 > (P1691959) 4 > (P1691959) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.0500 -3.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3042 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -4.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3125 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -4.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8875 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -4.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6167 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -6.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3667 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 14 3 1 0 0 0 0 15 24 2 0 0 0 0 16 11 1 0 0 0 0 17 4 2 0 0 0 0 18 6 2 0 0 0 0 19 12 1 0 0 0 0 20 10 2 0 0 0 0 21 19 1 0 0 0 0 22 11 2 0 0 0 0 23 5 1 0 0 0 0 24 22 1 0 0 0 0 25 7 1 0 0 0 0 26 14 1 0 0 0 0 27 26 1 0 0 0 0 28 8 1 0 0 0 0 29 9 1 0 0 0 0 30 21 1 0 0 0 0 31 27 1 0 0 0 0 32 27 1 0 0 0 0 33 25 1 0 0 0 0 34 28 2 0 0 0 0 35 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 35 29 2 0 0 0 0 15 12 1 0 0 0 0 21 13 1 0 0 0 0 M END > (P1692503) P1692503 > (P1692503) 1 > (P1692503) 6 > (P1692503) 6 > (P1692503) 2.400000000000000e+000 > (P1692503) 5 > (P1692503) 9.040000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 1.5042 -1.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7625 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -2.4875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7750 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -2.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3417 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -2.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 20 1 0 0 0 0 18 11 1 0 0 0 0 19 5 1 0 0 0 0 20 18 2 0 0 0 0 21 3 1 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 25 17 1 0 0 0 0 26 28 1 0 0 0 0 27 14 1 0 0 0 0 28 21 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 22 1 0 0 0 0 32 23 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 24 34 2 0 0 0 0 17 14 2 0 0 0 0 M END > (P1692690) P1692690 > (P1692690) 1 > (P1692690) 6 > (P1692690) 9 > (P1692690) 3.100000000000000e+000 > (P1692690) 4 > (P1692690) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 3.8917 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1750 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8917 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -4.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -3.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 0.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4625 -2.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 0.4958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.4958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 15 1 0 0 0 0 11 4 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 5 1 0 0 0 0 15 20 2 0 0 0 0 16 4 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 10 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 25 6 1 0 0 0 0 26 17 1 0 0 0 0 27 13 2 0 0 0 0 28 17 2 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 30 2 0 0 0 0 2 3 1 0 0 0 0 21 15 1 0 0 0 0 8 12 1 0 0 0 0 28 31 1 0 0 0 0 M END > (P1888135) P1888135 > (P1888135) 2 > (P1888135) 5 > (P1888135) 5 > (P1888135) 3.200000000000000e+000 > (P1888135) 4 > (P1888135) 8.110000000000001e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 6.7917 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -7.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6375 -8.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -7.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -8.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -9.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -8.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -7.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 21 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 2 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 19 11 2 0 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 4 5 1 0 0 0 0 17 19 1 0 0 0 0 M END > (P2187307) P2187307 > (P2187307) 2 > (P2187307) 4 > (P2187307) 7 > (P2187307) 3.300000000000000e+000 > (P2187307) 2 > (P2187307) 9.170000000000000e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 8.0042 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -7.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8417 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -7.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -8.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -8.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -6.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -4.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9250 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 7 1 0 0 0 0 13 16 1 0 0 0 0 14 7 2 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 3 1 0 0 0 0 18 12 1 0 0 0 0 19 10 1 0 0 0 0 20 13 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 21 1 0 0 0 0 27 21 1 0 0 0 0 28 25 1 0 0 0 0 4 6 1 0 0 0 0 10 13 2 0 0 0 0 M END > (P2187333) P2187333 > (P2187333) 2 > (P2187333) 5 > (P2187333) 10 > (P2187333) 4.800000000000000e+000 > (P2187333) 2 > (P2187333) 1.009000000000000e+002 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 2.1042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -2.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9500 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -3.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 21 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 2 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 19 11 2 0 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 22 15 1 0 0 0 0 4 5 1 0 0 0 0 17 19 1 0 0 0 0 M END > (P2187339) P2187339 > (P2187339) 2 > (P2187339) 4 > (P2187339) 6 > (P2187339) 3.000000000000000e+000 > (P2187339) 2 > (P2187339) 9.170000000000000e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 1.9125 -1.1875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3792 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.9833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7667 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -2.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0917 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 13 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 1 1 0 0 0 0 14 5 1 0 0 0 0 15 3 2 0 0 0 0 16 4 2 0 0 0 0 17 7 2 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 8 1 0 0 0 0 22 10 1 0 0 0 0 23 12 2 0 0 0 0 24 11 2 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 20 1 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 23 1 0 0 0 0 31 24 1 0 0 0 0 11 12 1 0 0 0 0 31 30 2 0 0 0 0 10 8 2 0 0 0 0 28 29 1 0 0 0 0 M END > (P2187515) P2187515 > (P2187515) 2 > (P2187515) 4 > (P2187515) 5 > (P2187515) 3.200000000000000e+000 > (P2187515) 4 > (P2187515) 1.238000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 1.0250 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.4458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0375 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 1.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5375 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 17 1 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 8 1 0 0 0 0 20 14 1 0 0 0 0 21 13 2 0 0 0 0 22 13 1 0 0 0 0 23 20 1 0 0 0 0 24 22 2 0 0 0 0 25 21 1 0 0 0 0 26 24 1 0 0 0 0 5 7 2 0 0 0 0 25 26 2 0 0 0 0 18 14 2 0 0 0 0 M END > (P2187808) P2187808 > (P2187808) 1 > (P2187808) 3 > (P2187808) 7 > (P2187808) 4.200000000000000e+000 > (P2187808) 3 > (P2187808) 5.619999999999999e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 0.7625 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7625 -0.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.8667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2125 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 14 2 0 0 0 0 12 10 1 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 8 1 0 0 0 0 21 15 1 0 0 0 0 22 18 2 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 5 7 2 0 0 0 0 25 26 2 0 0 0 0 11 15 1 0 0 0 0 M END > (P2187820) P2187820 > (P2187820) 1 > (P2187820) 3 > (P2187820) 6 > (P2187820) 4.300000000000000e+000 > (P2187820) 3 > (P2187820) 5.619999999999999e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.3375 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3375 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 1.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0958 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -1.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2583 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 10 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 9 2 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 16 9 1 0 0 0 0 17 14 1 0 0 0 0 18 17 2 0 0 0 0 19 12 1 0 0 0 0 20 10 1 0 0 0 0 21 16 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 19 2 0 0 0 0 25 19 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 6 11 2 0 0 0 0 27 28 2 0 0 0 0 18 13 1 0 0 0 0 M END > (P2187822) P2187822 > (P2187822) 1 > (P2187822) 3 > (P2187822) 7 > (P2187822) 5.000000000000000e+000 > (P2187822) 3 > (P2187822) 5.619999999999999e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 0.5375 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5375 -1.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 14 2 0 0 0 0 12 10 1 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 17 9 1 0 0 0 0 18 12 2 0 0 0 0 19 22 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 23 20 1 0 0 0 0 24 11 1 0 0 0 0 25 8 1 0 0 0 0 26 15 1 0 0 0 0 27 19 1 0 0 0 0 5 7 2 0 0 0 0 23 19 2 0 0 0 0 11 15 1 0 0 0 0 M END > (P2188222) P2188222 > (P2188222) 1 > (P2188222) 3 > (P2188222) 6 > (P2188222) 4.800000000000000e+000 > (P2188222) 3 > (P2188222) 5.619999999999999e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 -0.1750 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 1.1208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8875 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 18 1 0 0 0 0 14 5 2 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 11 2 0 0 0 0 21 17 1 0 0 0 0 22 13 1 0 0 0 0 23 21 1 0 0 0 0 24 14 1 0 0 0 0 25 23 1 0 0 0 0 26 24 2 0 0 0 0 6 8 2 0 0 0 0 19 13 2 0 0 0 0 26 20 1 0 0 0 0 M END > (P2188229) P2188229 > (P2188229) 1 > (P2188229) 3 > (P2188229) 7 > (P2188229) 4.300000000000000e+000 > (P2188229) 3 > (P2188229) 5.619999999999999e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.1417 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1417 -1.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 1.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 14 2 0 0 0 0 12 10 1 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 17 9 1 0 0 0 0 18 12 2 0 0 0 0 19 22 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 23 20 1 0 0 0 0 24 19 1 0 0 0 0 25 11 1 0 0 0 0 26 8 1 0 0 0 0 27 15 1 0 0 0 0 28 24 1 0 0 0 0 5 7 2 0 0 0 0 23 19 2 0 0 0 0 15 11 1 0 0 0 0 M END > (P2188780) P2188780 > (P2188780) 1 > (P2188780) 4 > (P2188780) 7 > (P2188780) 4.200000000000000e+000 > (P2188780) 3 > (P2188780) 6.540000000000001e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.1375 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1375 -1.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 15 7 1 0 0 0 0 16 7 2 0 0 0 0 17 14 2 0 0 0 0 18 11 1 0 0 0 0 19 22 1 0 0 0 0 20 18 2 0 0 0 0 21 18 1 0 0 0 0 22 21 2 0 0 0 0 23 20 1 0 0 0 0 24 19 1 0 0 0 0 25 10 1 0 0 0 0 26 13 1 0 0 0 0 27 14 1 0 0 0 0 28 24 1 0 0 0 0 5 9 2 0 0 0 0 23 19 2 0 0 0 0 17 13 1 0 0 0 0 M END > (P2188808) P2188808 > (P2188808) 1 > (P2188808) 4 > (P2188808) 7 > (P2188808) 4.200000000000000e+000 > (P2188808) 3 > (P2188808) 6.540000000000001e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 5.8167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -3.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -2.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -4.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0792 -5.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -5.8792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -4.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 17 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 10 2 0 0 0 0 22 11 1 0 0 0 0 23 14 2 0 0 0 0 24 20 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 6 5 1 0 0 0 0 13 18 2 0 0 0 0 23 27 1 0 0 0 0 M END > (P2188941) P2188941 > (P2188941) 1 > (P2188941) 4 > (P2188941) 6 > (P2188941) 4.600000000000000e+000 > (P2188941) 3 > (P2188941) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.5000 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 0.5583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.6958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -1.9917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 12 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 6 1 0 0 0 0 14 4 2 0 0 0 0 15 10 1 0 0 0 0 16 9 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 11 2 0 0 0 0 21 12 1 0 0 0 0 22 17 2 0 0 0 0 23 20 1 0 0 0 0 24 23 2 0 0 0 0 5 13 2 0 0 0 0 15 18 2 0 0 0 0 24 22 1 0 0 0 0 M END > (P2189124) P2189124 > (P2189124) 1 > (P2189124) 3 > (P2189124) 6 > (P2189124) 3.200000000000000e+000 > (P2189124) 3 > (P2189124) 8.440000000000001e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 0.1417 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1417 -1.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 2.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 -1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 11 2 0 0 0 0 14 17 1 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 7 2 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 20 1 0 0 0 0 25 19 1 0 0 0 0 26 24 1 0 0 0 0 5 8 2 0 0 0 0 18 14 2 0 0 0 0 23 13 1 0 0 0 0 M END > (P2189134) P2189134 > (P2189134) 1 > (P2189134) 4 > (P2189134) 7 > (P2189134) 3.300000000000000e+000 > (P2189134) 3 > (P2189134) 6.540000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 1.1417 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.5583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1417 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 1.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.6958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0458 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -2.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 4 2 0 0 0 0 14 9 1 0 0 0 0 15 8 2 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 18 21 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 11 1 0 0 0 0 24 18 1 0 0 0 0 25 24 1 0 0 0 0 5 10 2 0 0 0 0 14 16 2 0 0 0 0 22 18 2 0 0 0 0 M END > (P2189320) P2189320 > (P2189320) 1 > (P2189320) 3 > (P2189320) 7 > (P2189320) 4.000000000000000e+000 > (P2189320) 3 > (P2189320) 8.440000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.7375 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0375 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -2.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0542 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.1875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 17 1 0 0 0 0 14 21 1 0 0 0 0 15 12 1 0 0 0 0 16 4 2 0 0 0 0 17 15 2 0 0 0 0 18 9 1 0 0 0 0 19 8 2 0 0 0 0 20 19 1 0 0 0 0 21 22 2 0 0 0 0 22 15 1 0 0 0 0 23 14 1 0 0 0 0 24 13 1 0 0 0 0 25 11 1 0 0 0 0 10 5 2 0 0 0 0 20 18 2 0 0 0 0 13 14 2 0 0 0 0 M END > (P2189375) P2189375 > (P2189375) 1 > (P2189375) 3 > (P2189375) 6 > (P2189375) 4.200000000000000e+000 > (P2189375) 3 > (P2189375) 8.440000000000001e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.3333 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -0.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4417 -0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -2.4292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4667 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -0.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8042 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 14 20 2 0 0 0 0 15 4 2 0 0 0 0 16 9 1 0 0 0 0 17 8 2 0 0 0 0 18 17 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 11 1 0 0 0 0 10 5 2 0 0 0 0 18 16 2 0 0 0 0 19 14 1 0 0 0 0 M END > (P2189376) P2189376 > (P2189376) 1 > (P2189376) 3 > (P2189376) 7 > (P2189376) 4.400000000000000e+000 > (P2189376) 3 > (P2189376) 8.440000000000001e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 3.9542 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -6.2125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7417 -5.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -5.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -8.2875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8542 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -3.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5042 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 13 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 5 1 0 0 0 0 14 7 1 0 0 0 0 15 10 2 0 0 0 0 16 4 2 0 0 0 0 17 5 2 0 0 0 0 18 12 1 0 0 0 0 19 11 2 0 0 0 0 20 19 1 0 0 0 0 21 10 1 0 0 0 0 22 16 1 0 0 0 0 23 22 2 0 0 0 0 24 13 1 0 0 0 0 25 21 1 0 0 0 0 26 21 1 0 0 0 0 27 22 1 0 0 0 0 14 6 2 0 0 0 0 20 18 2 0 0 0 0 15 23 1 0 0 0 0 M END > (P2189448) P2189448 > (P2189448) 1 > (P2189448) 3 > (P2189448) 7 > (P2189448) 4.700000000000000e+000 > (P2189448) 3 > (P2189448) 8.440000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 0.3500 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.5458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 2 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 2 2 0 0 0 0 11 3 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 11 1 0 0 0 0 19 11 2 0 0 0 0 20 13 1 0 0 0 0 21 22 1 0 0 0 0 22 15 2 0 0 0 0 23 18 2 0 0 0 0 24 19 1 0 0 0 0 25 24 2 0 0 0 0 8 16 1 0 0 0 0 23 25 1 0 0 0 0 14 21 2 0 0 0 0 M END > (P2189749) P2189749 > (P2189749) 1 > (P2189749) 5 > (P2189749) 5 > (P2189749) 2.700000000000000e+000 > (P2189749) 3 > (P2189749) 8.990000000000002e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -0.2750 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9833 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -2.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5708 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5708 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 23 1 0 0 0 0 17 16 2 0 0 0 0 18 13 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 14 2 0 0 0 0 22 19 1 0 0 0 0 23 22 1 0 0 0 0 24 10 2 0 0 0 0 25 11 1 0 0 0 0 26 13 2 0 0 0 0 27 24 1 0 0 0 0 28 27 2 0 0 0 0 6 5 1 0 0 0 0 21 19 1 0 0 0 0 26 28 1 0 0 0 0 M END > (P2189801) P2189801 > (P2189801) 1 > (P2189801) 5 > (P2189801) 8 > (P2189801) 4.000000000000000e+000 > (P2189801) 3 > (P2189801) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 0.5042 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.5583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5042 -0.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0917 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 11 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 4 2 0 0 0 0 15 9 2 0 0 0 0 16 13 1 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 20 10 2 0 0 0 0 21 11 1 0 0 0 0 22 17 2 0 0 0 0 23 21 1 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 5 12 2 0 0 0 0 16 18 2 0 0 0 0 25 22 1 0 0 0 0 M END > (P2189870) P2189870 > (P2189870) 1 > (P2189870) 3 > (P2189870) 7 > (P2189870) 3.200000000000000e+000 > (P2189870) 3 > (P2189870) 6.930000000000001e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.1375 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 1.3708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5750 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 2.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 1.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 3 2 0 0 0 0 13 5 1 0 0 0 0 14 9 2 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 5 2 0 0 0 0 18 13 1 0 0 0 0 19 13 2 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 6 10 2 0 0 0 0 15 16 2 0 0 0 0 19 24 1 0 0 0 0 M END > (P2189872) P2189872 > (P2189872) 1 > (P2189872) 3 > (P2189872) 7 > (P2189872) 3.000000000000000e+000 > (P2189872) 3 > (P2189872) 6.930000000000001e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 0.0667 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.7583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6833 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2292 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.9083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 3 2 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 14 1 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 18 16 1 0 0 0 0 19 16 2 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 25 18 2 0 0 0 0 26 22 2 0 0 0 0 27 24 1 0 0 0 0 5 11 2 0 0 0 0 13 15 2 0 0 0 0 23 27 2 0 0 0 0 26 25 1 0 0 0 0 M END > (P2189922) P2189922 > (P2189922) 1 > (P2189922) 2 > (P2189922) 6 > (P2189922) 4.200000000000000e+000 > (P2189922) 4 > (P2189922) 7.519999999999999e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 -0.2208 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 1.1708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9333 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 1.9583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 1.3083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 3 2 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 5 2 0 0 0 0 18 13 1 0 0 0 0 19 13 2 0 0 0 0 20 18 1 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 6 11 2 0 0 0 0 14 16 2 0 0 0 0 23 19 1 0 0 0 0 M END > (P2189924) P2189924 > (P2189924) 1 > (P2189924) 3 > (P2189924) 6 > (P2189924) 3.000000000000000e+000 > (P2189924) 3 > (P2189924) 8.440000000000001e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 1.8917 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -1.4167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -0.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 2 0 0 0 0 14 8 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 6 1 0 0 0 0 18 9 1 0 0 0 0 19 20 1 0 0 0 0 20 12 1 0 0 0 0 21 14 2 0 0 0 0 22 14 1 0 0 0 0 23 16 1 0 0 0 0 24 23 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 9 6 2 0 0 0 0 11 19 1 0 0 0 0 26 27 2 0 0 0 0 M END > (P2189968) P2189968 > (P2189968) 1 > (P2189968) 5 > (P2189968) 6 > (P2189968) 3.500000000000000e+000 > (P2189968) 3 > (P2189968) 1.182000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 13.9167 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8375 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1542 1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5917 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4042 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4042 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0667 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 0.6458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2542 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8917 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7417 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9167 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2292 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0750 -2.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 1.8833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4042 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 12 1 0 0 0 0 17 19 2 0 0 0 0 18 26 2 0 0 0 0 19 15 1 0 0 0 0 20 14 2 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 5 1 0 0 0 0 24 16 1 0 0 0 0 25 16 2 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 28 9 1 0 0 0 0 29 11 1 0 0 0 0 30 23 2 0 0 0 0 31 30 1 0 0 0 0 4 6 1 0 0 0 0 20 17 1 0 0 0 0 31 28 2 0 0 0 0 18 27 1 0 0 0 0 M END > (P2191496) P2191496 > (P2191496) 1 > (P2191496) 4 > (P2191496) 6 > (P2191496) 4.700000000000000e+000 > (P2191496) 4 > (P2191496) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 2.2542 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.9125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -3.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -2.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 12 2 0 0 0 0 12 3 1 0 0 0 0 13 2 1 0 0 0 0 14 4 2 0 0 0 0 15 5 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 8 1 0 0 0 0 19 10 1 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 15 2 0 0 0 0 23 17 1 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 25 2 0 0 0 0 8 10 2 0 0 0 0 11 9 1 0 0 0 0 26 27 1 0 0 0 0 M END > (P2192620) P2192620 > (P2192620) 1 > (P2192620) 4 > (P2192620) 6 > (P2192620) 3.800000000000000e+000 > (P2192620) 3 > (P2192620) 1.097000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.6667 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -2.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 13 2 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 4 2 0 0 0 0 16 8 2 0 0 0 0 17 6 1 0 0 0 0 18 14 1 0 0 0 0 19 23 1 0 0 0 0 20 11 1 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 22 2 0 0 0 0 24 21 1 0 0 0 0 25 12 1 0 0 0 0 26 19 1 0 0 0 0 27 13 1 0 0 0 0 28 17 2 0 0 0 0 29 17 1 0 0 0 0 30 26 1 0 0 0 0 31 20 2 0 0 0 0 32 25 2 0 0 0 0 33 28 1 0 0 0 0 34 29 2 0 0 0 0 35 34 1 0 0 0 0 11 12 2 0 0 0 0 32 31 1 0 0 0 0 24 19 2 0 0 0 0 10 9 1 0 0 0 0 33 35 2 0 0 0 0 M END > (P2192775) P2192775 > (P2192775) 2 > (P2192775) 4 > (P2192775) 6 > (P2192775) 4.500000000000000e+000 > (P2192775) 5 > (P2192775) 1.066000000000000e+002 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 1.6375 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -2.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -3.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 13 2 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 4 2 0 0 0 0 16 8 2 0 0 0 0 17 6 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 20 11 1 0 0 0 0 21 19 2 0 0 0 0 22 12 1 0 0 0 0 23 13 1 0 0 0 0 24 25 1 0 0 0 0 25 18 2 0 0 0 0 26 17 2 0 0 0 0 27 17 1 0 0 0 0 28 24 2 0 0 0 0 29 21 1 0 0 0 0 30 20 2 0 0 0 0 31 22 2 0 0 0 0 32 27 2 0 0 0 0 33 26 1 0 0 0 0 34 32 1 0 0 0 0 11 12 2 0 0 0 0 31 30 1 0 0 0 0 21 28 1 0 0 0 0 10 9 1 0 0 0 0 33 34 2 0 0 0 0 M END > (P2192776) P2192776 > (P2192776) 2 > (P2192776) 3 > (P2192776) 5 > (P2192776) 5.000000000000000e+000 > (P2192776) 5 > (P2192776) 9.740000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2375 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 7 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 17 11 1 0 0 0 0 18 7 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 23 21 1 0 0 0 0 24 19 2 0 0 0 0 25 24 1 0 0 0 0 4 5 1 0 0 0 0 16 15 1 0 0 0 0 20 25 2 0 0 0 0 M END > (P2193152) P2193152 > (P2193152) 1 > (P2193152) 3 > (P2193152) 5 > (P2193152) 4.000000000000000e+000 > (P2193152) 3 > (P2193152) 6.440000000000001e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 0.7000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -2.3667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0208 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -3.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 1.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 7 2 0 0 0 0 10 14 1 0 0 0 0 11 2 1 0 0 0 0 12 3 2 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 13 2 0 0 0 0 17 4 1 0 0 0 0 18 15 2 0 0 0 0 19 16 1 0 0 0 0 20 7 1 0 0 0 0 21 9 1 0 0 0 0 22 14 1 0 0 0 0 23 20 2 0 0 0 0 24 23 1 0 0 0 0 8 6 2 0 0 0 0 16 18 1 0 0 0 0 10 9 1 0 0 0 0 24 21 2 0 0 0 0 M END > (P2194701) P2194701 > (P2194701) 0 > (P2194701) 2 > (P2194701) 1 > (P2194701) 4.300000000000000e+000 > (P2194701) 4 > (P2194701) 4.270000000000000e+001 $$$$ -ISIS- 08092202382D 21 21 0 0 0 0 0 0 0 0999 V2000 9.9000 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -10.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -9.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -11.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -9.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3292 -10.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -8.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -8.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -11.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -8.6500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -8.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -9.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3292 -12.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -8.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 7 1 0 0 0 0 10 2 2 0 0 0 0 11 6 2 0 0 0 0 12 9 2 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 17 1 0 0 0 0 8 5 2 0 0 0 0 M END > (P2195415) P2195415 > (P2195415) 1 > (P2195415) 6 > (P2195415) 7 > (P2195415) 2.900000000000000e+000 > (P2195415) 1 > (P2195415) 1.065000000000000e+002 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 0.4542 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -1.9500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5583 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 8 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 7 2 0 0 0 0 16 4 2 0 0 0 0 17 9 2 0 0 0 0 18 12 2 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 5 1 0 0 0 0 22 28 2 0 0 0 0 23 20 2 0 0 0 0 24 22 1 0 0 0 0 25 10 1 0 0 0 0 26 19 1 0 0 0 0 27 19 2 0 0 0 0 28 27 1 0 0 0 0 29 26 2 0 0 0 0 30 20 1 0 0 0 0 31 13 1 0 0 0 0 32 30 1 0 0 0 0 33 25 2 0 0 0 0 34 31 2 0 0 0 0 13 10 2 0 0 0 0 33 34 1 0 0 0 0 22 29 1 0 0 0 0 11 12 1 0 0 0 0 18 23 1 0 0 0 0 M END > (P2195983) P2195983 > (P2195983) 2 > (P2195983) 3 > (P2195983) 5 > (P2195983) 4.600000000000000e+000 > (P2195983) 5 > (P2195983) 9.370000000000002e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.3417 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -1.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 8 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 7 2 0 0 0 0 16 4 2 0 0 0 0 17 9 2 0 0 0 0 18 12 2 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 5 1 0 0 0 0 22 27 1 0 0 0 0 23 20 2 0 0 0 0 24 10 1 0 0 0 0 25 19 2 0 0 0 0 26 19 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 29 20 1 0 0 0 0 30 13 1 0 0 0 0 31 22 1 0 0 0 0 32 29 1 0 0 0 0 33 31 1 0 0 0 0 34 24 2 0 0 0 0 35 30 2 0 0 0 0 13 10 2 0 0 0 0 34 35 1 0 0 0 0 22 28 2 0 0 0 0 11 12 1 0 0 0 0 18 23 1 0 0 0 0 M END > (P2195993) P2195993 > (P2195993) 2 > (P2195993) 4 > (P2195993) 6 > (P2195993) 4.400000000000000e+000 > (P2195993) 5 > (P2195993) 1.029000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 5.3792 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 0.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6250 -0.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -0.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3792 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -4.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -0.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9417 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 15 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 13 2 1 0 0 0 0 14 9 2 0 0 0 0 15 14 1 0 0 0 0 16 6 1 0 0 0 0 17 5 2 0 0 0 0 18 13 2 0 0 0 0 19 18 1 0 0 0 0 20 8 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 15 1 0 0 0 0 24 20 1 0 0 0 0 25 20 1 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 6 4 2 0 0 0 0 19 16 2 0 0 0 0 12 10 1 0 0 0 0 22 27 2 0 0 0 0 M END > (P3458994) P3458994 > (P3458994) 1 > (P3458994) 4 > (P3458994) 4 > (P3458994) 3.100000000000000e+000 > (P3458994) 4 > (P3458994) 7.220000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 4.6125 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -0.5125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.3625 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5417 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -1.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 3 2 0 0 0 0 12 3 2 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 5 1 0 0 0 0 19 10 1 0 0 0 0 20 10 2 0 0 0 0 21 18 1 0 0 0 0 22 4 1 0 0 0 0 23 21 2 0 0 0 0 24 6 1 0 0 0 0 25 26 2 0 0 0 0 26 20 1 0 0 0 0 27 19 2 0 0 0 0 28 25 1 0 0 0 0 29 28 1 0 0 0 0 5 6 1 0 0 0 0 27 25 1 0 0 0 0 16 17 2 0 0 0 0 M END > (P3459479) P3459479 > (P3459479) 1 > (P3459479) 4 > (P3459479) 7 > (P3459479) 3.800000000000000e+000 > (P3459479) 3 > (P3459479) 9.890000000000002e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 4.8667 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.9167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.6042 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -3.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7792 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -5.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -3.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -7.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 12 1 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 9 2 0 0 0 0 18 15 1 0 0 0 0 19 4 1 0 0 0 0 20 18 2 0 0 0 0 21 6 1 0 0 0 0 22 25 2 0 0 0 0 23 14 2 0 0 0 0 24 16 2 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 12 2 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 23 1 0 0 0 0 31 26 1 0 0 0 0 5 6 1 0 0 0 0 24 22 1 0 0 0 0 29 23 1 0 0 0 0 M END > (P3459481) P3459481 > (P3459481) 1 > (P3459481) 4 > (P3459481) 7 > (P3459481) 4.900000000000000e+000 > (P3459481) 3 > (P3459481) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 7.5167 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -5.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3292 -5.5792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.2625 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -6.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -6.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -5.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -7.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4542 -6.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -8.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5792 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 17 13 2 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 9 2 0 0 0 0 22 9 1 0 0 0 0 23 5 1 0 0 0 0 24 6 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 28 19 1 0 0 0 0 29 15 1 0 0 0 0 30 27 1 0 0 0 0 31 29 1 0 0 0 0 3 6 1 0 0 0 0 26 27 2 0 0 0 0 31 28 1 0 0 0 0 20 18 2 0 0 0 0 M END > (P3459501) P3459501 > (P3459501) 1 > (P3459501) 4 > (P3459501) 6 > (P3459501) 3.700000000000000e+000 > (P3459501) 4 > (P3459501) 9.890000000000002e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 5.5792 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -6.7542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.3250 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -6.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4917 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -7.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -7.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -9.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -9.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 11 2 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 5 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 11 1 0 0 0 0 22 20 1 0 0 0 0 23 16 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 5 6 1 0 0 0 0 18 20 2 0 0 0 0 M END > (P3459533) P3459533 > (P3459533) 1 > (P3459533) 3 > (P3459533) 6 > (P3459533) 4.100000000000000e+000 > (P3459533) 2 > (P3459533) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 5.4417 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -5.3625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2542 -5.5542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.1917 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -6.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -6.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -5.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0292 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 4 2 0 0 0 0 12 7 1 0 0 0 0 13 12 2 0 0 0 0 14 8 1 0 0 0 0 15 8 2 0 0 0 0 16 5 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 18 2 0 0 0 0 21 9 1 0 0 0 0 22 12 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 3 6 1 0 0 0 0 19 20 1 0 0 0 0 M END > (P3459542) P3459542 > (P3459542) 1 > (P3459542) 3 > (P3459542) 6 > (P3459542) 4.500000000000000e+000 > (P3459542) 2 > (P3459542) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 7.4625 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -3.8875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.2125 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -3.5417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -4.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -4.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -4.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -6.1125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 5 1 0 0 0 0 16 15 1 0 0 0 0 17 4 1 0 0 0 0 18 16 2 0 0 0 0 19 6 1 0 0 0 0 20 13 1 0 0 0 0 21 9 2 0 0 0 0 22 12 1 0 0 0 0 23 12 2 0 0 0 0 24 13 2 0 0 0 0 25 21 1 0 0 0 0 26 23 1 0 0 0 0 27 22 2 0 0 0 0 28 25 2 0 0 0 0 29 26 2 0 0 0 0 5 6 1 0 0 0 0 27 29 1 0 0 0 0 28 24 1 0 0 0 0 M END > (P3459546) P3459546 > (P3459546) 1 > (P3459546) 3 > (P3459546) 6 > (P3459546) 4.600000000000000e+000 > (P3459546) 3 > (P3459546) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 9.7667 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 -6.9792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 10.3167 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -4.9875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.9042 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -6.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -7.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -7.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6875 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -7.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1792 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9917 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 15 2 0 0 0 0 11 3 2 0 0 0 0 12 3 2 0 0 0 0 13 3 1 0 0 0 0 14 22 2 0 0 0 0 15 9 1 0 0 0 0 16 8 2 0 0 0 0 17 9 2 0 0 0 0 18 5 1 0 0 0 0 19 18 1 0 0 0 0 20 4 1 0 0 0 0 21 19 2 0 0 0 0 22 17 1 0 0 0 0 23 6 1 0 0 0 0 24 14 1 0 0 0 0 25 13 1 0 0 0 0 26 13 2 0 0 0 0 27 26 1 0 0 0 0 28 25 2 0 0 0 0 29 27 2 0 0 0 0 5 6 1 0 0 0 0 28 29 1 0 0 0 0 14 10 1 0 0 0 0 M END > (P3459554) P3459554 > (P3459554) 1 > (P3459554) 4 > (P3459554) 6 > (P3459554) 4.100000000000000e+000 > (P3459554) 3 > (P3459554) 8.940000000000001e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 9.0417 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -5.6417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.7875 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -5.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9667 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -6.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -5.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -6.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -7.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -3.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 5 1 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 18 1 0 0 0 0 22 25 1 0 0 0 0 23 12 1 0 0 0 0 24 12 2 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 28 23 2 0 0 0 0 29 27 2 0 0 0 0 5 6 1 0 0 0 0 28 29 1 0 0 0 0 16 17 2 0 0 0 0 M END > (P3459565) P3459565 > (P3459565) 1 > (P3459565) 4 > (P3459565) 8 > (P3459565) 3.100000000000000e+000 > (P3459565) 3 > (P3459565) 9.890000000000002e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 7.7125 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -3.3792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.4542 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -3.0417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6292 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -4.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -4.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -8.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 5 1 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 20 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 19 1 0 0 0 0 23 14 1 0 0 0 0 24 27 1 0 0 0 0 25 11 1 0 0 0 0 26 11 2 0 0 0 0 27 23 1 0 0 0 0 28 24 1 0 0 0 0 29 26 1 0 0 0 0 30 25 2 0 0 0 0 31 29 2 0 0 0 0 5 6 1 0 0 0 0 30 31 1 0 0 0 0 21 19 2 0 0 0 0 M END > (P3459567) P3459567 > (P3459567) 1 > (P3459567) 4 > (P3459567) 8 > (P3459567) 3.900000000000000e+000 > (P3459567) 3 > (P3459567) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 9.2167 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -7.5667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7667 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -6.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -7.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4417 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 10 2 0 0 0 0 13 5 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 13 1 0 0 0 0 17 21 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 11 2 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 23 1 0 0 0 0 25 20 1 0 0 0 0 26 19 2 0 0 0 0 27 25 2 0 0 0 0 5 6 1 0 0 0 0 26 27 1 0 0 0 0 M END > (P3459569) P3459569 > (P3459569) 1 > (P3459569) 4 > (P3459569) 9 > (P3459569) 3.200000000000000e+000 > (P3459569) 2 > (P3459569) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 8.8917 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -7.6125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4500 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -5.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0250 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -6.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -7.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -5.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7125 -5.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4375 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2667 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 11 2 0 0 0 0 14 8 1 0 0 0 0 15 8 2 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 18 2 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 23 1 0 0 0 0 27 22 1 0 0 0 0 5 6 1 0 0 0 0 20 19 1 0 0 0 0 27 26 1 0 0 0 0 M END > (P3459586) P3459586 > (P3459586) 1 > (P3459586) 3 > (P3459586) 5 > (P3459586) 4.700000000000000e+000 > (P3459586) 3 > (P3459586) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 8.9542 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -5.3417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0417 -7.3292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.5042 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -6.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8667 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -7.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -7.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1917 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3625 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1792 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -6.9625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1542 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 4 2 0 0 0 0 15 4 2 0 0 0 0 16 8 2 0 0 0 0 17 10 1 0 0 0 0 18 10 2 0 0 0 0 19 5 1 0 0 0 0 20 6 1 0 0 0 0 21 22 2 0 0 0 0 22 18 1 0 0 0 0 23 17 2 0 0 0 0 24 21 1 0 0 0 0 25 13 1 0 0 0 0 26 25 1 0 0 0 0 27 25 1 0 0 0 0 3 6 1 0 0 0 0 23 21 1 0 0 0 0 11 12 1 0 0 0 0 M END > (P3459591) P3459591 > (P3459591) 1 > (P3459591) 3 > (P3459591) 6 > (P3459591) 4.300000000000000e+000 > (P3459591) 3 > (P3459591) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 8.9000 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -5.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9875 -7.2667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4542 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -6.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -7.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -6.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2667 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 -6.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -3.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9917 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1125 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 4 2 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 8 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 14 2 0 0 0 0 22 19 1 0 0 0 0 23 10 1 0 0 0 0 24 16 1 0 0 0 0 25 16 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 28 23 1 0 0 0 0 3 6 1 0 0 0 0 21 19 1 0 0 0 0 M END > (P3459608) P3459608 > (P3459608) 1 > (P3459608) 4 > (P3459608) 7 > (P3459608) 4.400000000000000e+000 > (P3459608) 2 > (P3459608) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 9.2375 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -7.5792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7917 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -5.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3750 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -6.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -8.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -5.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0417 -5.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 -8.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3000 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7917 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 11 2 0 0 0 0 14 8 1 0 0 0 0 15 8 2 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 18 2 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 25 1 0 0 0 0 5 6 1 0 0 0 0 19 20 1 0 0 0 0 M END > (P3459615) P3459615 > (P3459615) 1 > (P3459615) 3 > (P3459615) 6 > (P3459615) 4.400000000000000e+000 > (P3459615) 2 > (P3459615) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 3.5125 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -4.0667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.9500 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3625 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -4.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -3.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -4.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -6.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1417 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 9 2 0 0 0 0 19 14 1 0 0 0 0 20 12 1 0 0 0 0 21 12 2 0 0 0 0 22 14 2 0 0 0 0 23 15 1 0 0 0 0 24 15 1 0 0 0 0 25 19 1 0 0 0 0 26 18 1 0 0 0 0 27 21 1 0 0 0 0 28 20 2 0 0 0 0 29 26 2 0 0 0 0 30 27 2 0 0 0 0 5 6 1 0 0 0 0 28 30 1 0 0 0 0 29 22 1 0 0 0 0 M END > (P3459633) P3459633 > (P3459633) 1 > (P3459633) 4 > (P3459633) 6 > (P3459633) 4.500000000000000e+000 > (P3459633) 3 > (P3459633) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 9.2125 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -7.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7542 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -5.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3417 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -6.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -7.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -8.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -8.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5667 -7.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9000 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 11 2 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 5 1 0 0 0 0 17 6 1 0 0 0 0 18 20 1 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 18 1 0 0 0 0 22 11 1 0 0 0 0 23 21 1 0 0 0 0 24 16 1 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 5 6 1 0 0 0 0 19 18 2 0 0 0 0 M END > (P3459641) P3459641 > (P3459641) 1 > (P3459641) 4 > (P3459641) 9 > (P3459641) 4.500000000000000e+000 > (P3459641) 2 > (P3459641) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 9.2417 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -7.5917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7875 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -5.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3750 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -8.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -5.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0500 -5.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6125 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7917 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 -8.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -7.2167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0750 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 5 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 4 1 0 0 0 0 17 8 1 0 0 0 0 18 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 14 2 0 0 0 0 22 19 1 0 0 0 0 23 17 1 0 0 0 0 24 12 1 0 0 0 0 25 12 1 0 0 0 0 26 23 1 0 0 0 0 27 23 1 0 0 0 0 5 6 1 0 0 0 0 21 19 1 0 0 0 0 M END > (P3459645) P3459645 > (P3459645) 1 > (P3459645) 3 > (P3459645) 6 > (P3459645) 4.400000000000000e+000 > (P3459645) 2 > (P3459645) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 5.1292 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -3.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5500 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6917 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -5.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0500 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 4 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 6 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 15 1 0 0 0 0 23 15 1 0 0 0 0 24 18 2 0 0 0 0 25 19 2 0 0 0 0 26 21 1 0 0 0 0 27 20 1 0 0 0 0 6 5 2 0 0 0 0 26 27 1 0 0 0 0 11 12 2 0 0 0 0 25 24 1 0 0 0 0 M END > (P3459695) P3459695 > (P3459695) 2 > (P3459695) 2 > (P3459695) 4 > (P3459695) 5.000000000000000e+000 > (P3459695) 4 > (P3459695) 6.270000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 2.5500 1.6583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4542 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 1.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 1.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8375 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 3.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 2 2 0 0 0 0 12 3 2 0 0 0 0 13 8 2 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 4 16 1 6 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 15 1 0 0 0 0 21 9 1 0 0 0 0 22 16 1 0 0 0 0 23 16 1 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 26 19 2 0 0 0 0 27 21 2 0 0 0 0 9 7 2 0 0 0 0 26 27 1 0 0 0 0 15 17 1 0 0 0 0 M END > (P3460141) P3460141 > (P3460141) 1 > (P3460141) 4 > (P3460141) 6 > (P3460141) 2.900000000000000e+000 > (P3460141) 3 > (P3460141) 6.790000000000001e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 5.5667 -7.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -8.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -7.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -5.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -9.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 1 2 0 0 0 0 12 14 1 0 0 0 0 13 9 2 0 0 0 0 14 10 2 0 0 0 0 15 13 1 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 10 1 0 0 0 0 19 9 1 0 0 0 0 20 23 1 0 0 0 0 21 13 1 0 0 0 0 22 15 1 0 0 0 0 23 18 2 0 0 0 0 24 16 1 0 0 0 0 25 22 1 0 0 0 0 26 24 2 0 0 0 0 27 19 2 0 0 0 0 28 27 1 0 0 0 0 3 4 2 0 0 0 0 28 21 2 0 0 0 0 26 17 1 0 0 0 0 20 12 2 0 0 0 0 M END > (P3461129) P3461129 > (P3461129) 1 > (P3461129) 4 > (P3461129) 5 > (P3461129) 3.900000000000000e+000 > (P3461129) 4 > (P3461129) 6.409999999999999e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 5.6042 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -7.7875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.3500 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -7.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5250 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -8.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -10.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2292 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -10.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -10.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -8.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -6.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -6.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 13 3 2 0 0 0 0 14 3 2 0 0 0 0 15 8 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 5 1 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 16 1 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 26 1 0 0 0 0 26 24 1 0 0 0 0 27 23 1 0 0 0 0 28 25 1 0 0 0 0 5 6 1 0 0 0 0 21 23 2 0 0 0 0 11 12 1 0 0 0 0 M END > (P3462260) P3462260 > (P3462260) 1 > (P3462260) 4 > (P3462260) 8 > (P3462260) 3.300000000000000e+000 > (P3462260) 3 > (P3462260) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 8.9000 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -7.2750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4667 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -5.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0417 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -6.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -8.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -7.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -5.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -6.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2667 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4625 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 14 2 0 0 0 0 18 6 1 0 0 0 0 19 11 1 0 0 0 0 20 11 2 0 0 0 0 21 15 1 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 19 2 0 0 0 0 25 23 2 0 0 0 0 5 6 1 0 0 0 0 24 25 1 0 0 0 0 M END > (P3462285) P3462285 > (P3462285) 1 > (P3462285) 3 > (P3462285) 6 > (P3462285) 3.900000000000000e+000 > (P3462285) 2 > (P3462285) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 7.4667 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -3.4000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.2167 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -3.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -4.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -8.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 13 2 0 0 0 0 11 3 2 0 0 0 0 12 3 2 0 0 0 0 13 9 1 0 0 0 0 14 3 1 0 0 0 0 15 22 2 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 8 2 0 0 0 0 20 9 2 0 0 0 0 21 5 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 4 1 0 0 0 0 25 23 2 0 0 0 0 26 6 1 0 0 0 0 27 14 1 0 0 0 0 28 14 2 0 0 0 0 29 28 1 0 0 0 0 30 27 2 0 0 0 0 31 29 2 0 0 0 0 5 6 1 0 0 0 0 30 31 1 0 0 0 0 10 15 1 0 0 0 0 17 18 1 0 0 0 0 M END > (P3462288) P3462288 > (P3462288) 1 > (P3462288) 5 > (P3462288) 6 > (P3462288) 4.200000000000000e+000 > (P3462288) 4 > (P3462288) 9.500000000000000e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 8.9292 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -7.6292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4750 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -5.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0542 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -6.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1542 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9792 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 10 2 0 0 0 0 13 5 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 13 1 0 0 0 0 17 21 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 11 2 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 20 1 0 0 0 0 25 19 2 0 0 0 0 26 24 2 0 0 0 0 5 6 1 0 0 0 0 25 26 1 0 0 0 0 M END > (P3462309) P3462309 > (P3462309) 1 > (P3462309) 4 > (P3462309) 8 > (P3462309) 2.700000000000000e+000 > (P3462309) 2 > (P3462309) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 8.8542 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -4.4917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.6042 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -4.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7792 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -5.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3917 -4.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7792 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1125 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 19 22 1 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 18 1 0 0 0 0 23 17 1 0 0 0 0 24 17 2 0 0 0 0 25 19 1 0 0 0 0 26 21 1 0 0 0 0 27 20 2 0 0 0 0 28 24 1 0 0 0 0 29 23 2 0 0 0 0 30 26 2 0 0 0 0 31 28 2 0 0 0 0 5 6 1 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > (P3462311) P3462311 > (P3462311) 1 > (P3462311) 4 > (P3462311) 9 > (P3462311) 3.700000000000000e+000 > (P3462311) 3 > (P3462311) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 8.8917 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -7.2625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4417 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -5.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0292 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -6.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -7.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -6.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2542 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4417 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 -6.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 21 1 0 0 0 0 20 13 1 0 0 0 0 21 14 2 0 0 0 0 22 19 1 0 0 0 0 23 15 1 0 0 0 0 24 25 1 0 0 0 0 25 23 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 24 1 0 0 0 0 5 6 1 0 0 0 0 20 19 2 0 0 0 0 M END > (P3462318) P3462318 > (P3462318) 1 > (P3462318) 4 > (P3462318) 8 > (P3462318) 3.400000000000000e+000 > (P3462318) 2 > (P3462318) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 29 30 0 0 0 0 0 0 0 0999 V2000 8.8875 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -5.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9750 -7.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4292 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -6.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -8.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6917 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2667 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -3.8875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2667 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0917 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 21 15 2 0 0 0 0 22 19 1 0 0 0 0 23 10 1 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 23 1 0 0 0 0 3 6 1 0 0 0 0 21 19 1 0 0 0 0 M END > (P3462350) P3462350 > (P3462350) 1 > (P3462350) 4 > (P3462350) 7 > (P3462350) 4.800000000000000e+000 > (P3462350) 2 > (P3462350) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 28 29 0 0 0 0 0 0 0 0999 V2000 9.2375 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -7.5917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7917 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -5.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3792 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -5.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0500 -5.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6125 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7917 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 -8.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0792 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4417 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 5 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 4 1 0 0 0 0 17 8 1 0 0 0 0 18 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 14 2 0 0 0 0 22 19 1 0 0 0 0 23 17 1 0 0 0 0 24 12 1 0 0 0 0 25 12 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 28 23 1 0 0 0 0 5 6 1 0 0 0 0 21 19 1 0 0 0 0 M END > (P3462356) P3462356 > (P3462356) 1 > (P3462356) 4 > (P3462356) 7 > (P3462356) 4.200000000000000e+000 > (P3462356) 2 > (P3462356) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 5.8750 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -2.9125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6167 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -2.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7917 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -3.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -5.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7625 -2.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6375 -4.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 8 2 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 19 11 1 0 0 0 0 20 11 2 0 0 0 0 21 12 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 21 1 0 0 0 0 25 20 1 0 0 0 0 26 19 2 0 0 0 0 27 25 2 0 0 0 0 6 5 1 0 0 0 0 27 26 1 0 0 0 0 18 24 1 0 0 0 0 M END > (P3462374) P3462374 > (P3462374) 1 > (P3462374) 4 > (P3462374) 5 > (P3462374) 3.200000000000000e+000 > (P3462374) 3 > (P3462374) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 8.8792 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -7.2542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4292 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -5.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0167 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -6.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -8.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -6.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2500 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 13 1 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 17 2 0 0 0 0 25 18 1 0 0 0 0 26 25 2 0 0 0 0 5 6 1 0 0 0 0 24 26 1 0 0 0 0 M END > (P3462389) P3462389 > (P3462389) 1 > (P3462389) 3 > (P3462389) 7 > (P3462389) 4.600000000000000e+000 > (P3462389) 2 > (P3462389) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 8.9417 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -7.3167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4917 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -5.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0792 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -6.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -6.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8625 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -8.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -5.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4917 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1667 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 -6.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 13 3 2 0 0 0 0 14 3 2 0 0 0 0 15 8 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 6 1 0 0 0 0 21 23 1 0 0 0 0 22 16 1 0 0 0 0 23 17 2 0 0 0 0 24 21 1 0 0 0 0 25 24 1 0 0 0 0 26 19 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 5 6 1 0 0 0 0 22 21 2 0 0 0 0 11 12 1 0 0 0 0 M END > (P3462392) P3462392 > (P3462392) 1 > (P3462392) 4 > (P3462392) 8 > (P3462392) 4.200000000000000e+000 > (P3462392) 3 > (P3462392) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 7.4042 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -3.6625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.1167 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2917 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -4.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -3.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -7.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -3.7125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9667 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -5.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -0.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 3 2 0 0 0 0 14 10 1 0 0 0 0 15 8 2 0 0 0 0 16 5 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 10 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 24 17 2 0 0 0 0 25 22 1 0 0 0 0 26 9 1 0 0 0 0 27 30 1 0 0 0 0 28 16 1 0 0 0 0 29 16 1 0 0 0 0 30 26 2 0 0 0 0 5 6 1 0 0 0 0 24 22 1 0 0 0 0 27 14 2 0 0 0 0 M END > (P3462393) P3462393 > (P3462393) 1 > (P3462393) 4 > (P3462393) 5 > (P3462393) 4.400000000000000e+000 > (P3462393) 3 > (P3462393) 8.940000000000001e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 5.8875 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -2.9167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6292 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -2.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8042 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -3.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -3.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3000 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 5 1 0 0 0 0 15 8 2 0 0 0 0 16 9 2 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 12 2 0 0 0 0 22 12 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 24 1 0 0 0 0 28 23 1 0 0 0 0 29 25 1 0 0 0 0 6 5 1 0 0 0 0 29 26 2 0 0 0 0 27 28 1 0 0 0 0 18 17 2 0 0 0 0 M END > (P3462405) P3462405 > (P3462405) 1 > (P3462405) 3 > (P3462405) 5 > (P3462405) 4.600000000000000e+000 > (P3462405) 4 > (P3462405) 8.970000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 8.4875 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -7.5542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.0417 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -5.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6167 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -6.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -7.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -5.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2917 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5417 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 10 2 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 12 1 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 20 1 0 0 0 0 24 19 1 0 0 0 0 25 21 1 0 0 0 0 5 6 1 0 0 0 0 22 25 2 0 0 0 0 24 23 1 0 0 0 0 M END > (P3462406) P3462406 > (P3462406) 1 > (P3462406) 3 > (P3462406) 4 > (P3462406) 3.500000000000000e+000 > (P3462406) 3 > (P3462406) 7.659999999999998e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 7.1917 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -4.6417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.0750 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -4.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2625 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7375 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -4.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5917 -6.8667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7250 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -7.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 13 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 23 13 1 0 0 0 0 24 23 1 0 0 0 0 25 20 2 0 0 0 0 26 19 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 25 1 0 0 0 0 6 5 1 0 0 0 0 29 26 2 0 0 0 0 27 28 1 0 0 0 0 18 24 1 0 0 0 0 M END > (P3462407) P3462407 > (P3462407) 1 > (P3462407) 4 > (P3462407) 5 > (P3462407) 3.800000000000000e+000 > (P3462407) 4 > (P3462407) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 8.9000 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -7.2667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.4500 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -5.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0375 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -7.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -4.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7167 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -6.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3667 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -6.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5667 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 3 2 0 0 0 0 12 5 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 4 1 0 0 0 0 17 8 1 0 0 0 0 18 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 14 2 0 0 0 0 22 19 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 17 1 0 0 0 0 26 17 1 0 0 0 0 27 22 1 0 0 0 0 28 24 1 0 0 0 0 29 23 1 0 0 0 0 5 6 1 0 0 0 0 21 19 1 0 0 0 0 29 28 1 0 0 0 0 M END > (P3462409) P3462409 > (P3462409) 1 > (P3462409) 4 > (P3462409) 6 > (P3462409) 4.600000000000000e+000 > (P3462409) 3 > (P3462409) 8.580000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 8.9750 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -7.0792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.5167 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -5.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1042 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -6.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -4.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7917 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1750 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 11 2 0 0 0 0 14 8 1 0 0 0 0 15 8 2 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 19 2 0 0 0 0 19 15 1 0 0 0 0 20 14 2 0 0 0 0 21 18 1 0 0 0 0 22 11 1 0 0 0 0 23 22 1 0 0 0 0 24 12 1 0 0 0 0 25 12 1 0 0 0 0 26 21 1 0 0 0 0 27 23 1 0 0 0 0 28 25 1 0 0 0 0 29 24 1 0 0 0 0 5 6 1 0 0 0 0 20 18 1 0 0 0 0 29 28 1 0 0 0 0 M END > (P3462413) P3462413 > (P3462413) 1 > (P3462413) 5 > (P3462413) 7 > (P3462413) 3.200000000000000e+000 > (P3462413) 3 > (P3462413) 9.500000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 7.9167 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -8.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -8.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -6.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -6.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -7.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -5.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -8.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -8.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -8.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 6 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 3 1 0 0 0 0 16 11 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 19 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 6 5 1 0 0 0 0 12 17 2 0 0 0 0 25 21 1 0 0 0 0 27 28 2 0 0 0 0 M END > (P3497263) P3497263 > (P3497263) 1 > (P3497263) 2 > (P3497263) 5 > (P3497263) 4.800000000000000e+000 > (P3497263) 4 > (P3497263) 5.149999999999999e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 0.7750 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -6.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1375 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -6.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -4.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -3.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7625 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 13 5 2 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 16 6 1 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 14 2 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 18 2 0 0 0 0 25 21 1 0 0 0 0 26 23 1 0 0 0 0 27 25 2 0 0 0 0 4 3 2 0 0 0 0 9 12 2 0 0 0 0 26 22 2 0 0 0 0 24 27 1 0 0 0 0 M END > (P4127023) P4127023 > (P4127023) 1 > (P4127023) 2 > (P4127023) 4 > (P4127023) 4.200000000000000e+000 > (P4127023) 4 > (P4127023) 4.640000000000000e+001 $$$$ -ISIS- 08092202382D 17 19 0 0 0 0 0 0 0 0999 V2000 1.0167 -0.1875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2042 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.5583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4458 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 5 2 0 0 0 0 12 8 1 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 7 2 0 0 0 0 16 13 1 0 0 0 0 17 16 2 0 0 0 0 12 9 1 0 0 0 0 7 6 1 0 0 0 0 15 17 1 0 0 0 0 M END > (P4347299) P4347299 > (P4347299) 2 > (P4347299) 3 > (P4347299) 0 > (P4347299) -4.000000000000000e-001 > (P4347299) 3 > (P4347299) 6.959999999999999e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 0.4542 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2417 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -3.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7625 1.0583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0458 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 13 1 0 0 0 0 21 12 1 0 0 0 0 22 14 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 21 1 0 0 0 0 26 20 1 0 0 0 0 2 5 2 0 0 0 0 15 14 2 0 0 0 0 M END > (P4347764) P4347764 > (P4347764) 1 > (P4347764) 5 > (P4347764) 7 > (P4347764) 2.700000000000000e+000 > (P4347764) 2 > (P4347764) 7.780000000000000e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 0.4542 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 9 2 0 0 0 0 15 10 2 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 6 1 0 0 0 0 19 5 1 0 0 0 0 20 12 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 5 2 2 0 0 0 0 12 13 2 0 0 0 0 M END > (P4347766) P4347766 > (P4347766) 1 > (P4347766) 5 > (P4347766) 7 > (P4347766) 1.900000000000000e+000 > (P4347766) 2 > (P4347766) 7.780000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 1.6625 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 9 2 0 0 0 0 15 10 2 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 6 1 0 0 0 0 19 5 1 0 0 0 0 20 12 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 2 5 2 0 0 0 0 12 13 2 0 0 0 0 M END > (P4347775) P4347775 > (P4347775) 1 > (P4347775) 5 > (P4347775) 5 > (P4347775) 1.200000000000000e+000 > (P4347775) 2 > (P4347775) 7.780000000000000e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 1.5917 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.4083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2292 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 15 1 0 0 0 0 23 14 1 0 0 0 0 4 2 2 0 0 0 0 13 21 2 0 0 0 0 M END > (P4347878) P4347878 > (P4347878) 1 > (P4347878) 5 > (P4347878) 5 > (P4347878) 2.500000000000000e+000 > (P4347878) 2 > (P4347878) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 29 30 0 0 0 0 0 0 0 0999 V2000 2.7292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9042 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -0.0917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7167 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 2.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.1208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 2.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -2.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 3.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1167 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 11 1 0 0 0 0 10 3 1 0 0 0 0 11 12 1 0 0 0 0 12 10 2 0 0 0 0 13 7 1 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 7 2 0 0 0 0 18 6 2 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 10 1 0 0 0 0 22 13 1 0 0 0 0 23 14 1 0 0 0 0 24 25 1 0 0 0 0 25 21 2 0 0 0 0 26 22 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 23 1 0 0 0 0 2 4 2 0 0 0 0 24 11 2 0 0 0 0 M CHG 2 9 1 15 -1 M END > (P4348043) P4348043 > (P4348043) 1 > (P4348043) 7 > (P4348043) 8 > (P4348043) 3.200000000000000e+000 > (P4348043) 2 > (P4348043) 1.104000000000000e+002 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 0.9500 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7625 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 16 1 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 12 2 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 11 1 0 0 0 0 22 13 1 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 17 1 0 0 0 0 26 21 1 0 0 0 0 27 23 1 0 0 0 0 2 5 2 0 0 0 0 13 11 2 0 0 0 0 M END > (P4349650) P4349650 > (P4349650) 1 > (P4349650) 7 > (P4349650) 8 > (P4349650) 2.200000000000000e+000 > (P4349650) 2 > (P4349650) 8.310000000000002e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 7.2500 -4.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5042 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -5.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9292 -4.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3292 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -6.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -5.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.8542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -6.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 3 2 0 0 0 0 13 11 1 0 0 0 0 14 7 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 6 1 0 0 0 0 18 13 2 0 0 0 0 19 4 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 8 1 0 0 0 0 23 25 1 0 0 0 0 24 13 1 0 0 0 0 25 21 2 0 0 0 0 26 20 1 0 0 0 0 27 23 1 0 0 0 0 28 9 1 0 0 0 0 29 30 1 0 0 0 0 30 19 1 0 0 0 0 31 29 1 0 0 0 0 32 22 2 0 0 0 0 33 32 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 33 28 2 0 0 0 0 23 26 2 0 0 0 0 M END > (P4354100) P4354100 > (P4354100) 2 > (P4354100) 7 > (P4354100) 7 > (P4354100) 1.500000000000000e+000 > (P4354100) 4 > (P4354100) 1.245000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 2.3167 -4.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -4.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5917 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -4.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1750 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -0.4542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 23 17 1 0 0 0 0 24 21 1 0 0 0 0 25 9 1 0 0 0 0 26 27 1 0 0 0 0 27 16 1 0 0 0 0 28 26 1 0 0 0 0 29 19 1 0 0 0 0 30 20 2 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 31 25 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P4354101) P4354101 > (P4354101) 1 > (P4354101) 5 > (P4354101) 7 > (P4354101) 2.900000000000000e+000 > (P4354101) 4 > (P4354101) 8.719999999999999e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 2.4875 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7417 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -2.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3167 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -4.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6042 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 4 2 0 0 0 0 18 22 1 0 0 0 0 19 6 2 0 0 0 0 20 9 2 0 0 0 0 21 5 1 0 0 0 0 22 14 1 0 0 0 0 23 31 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 10 1 0 0 0 0 27 18 1 0 0 0 0 28 18 1 0 0 0 0 29 15 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 24 1 0 0 0 0 33 25 2 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 7 10 1 0 0 0 0 6 5 1 0 0 0 0 26 34 2 0 0 0 0 15 16 2 0 0 0 0 30 23 1 0 0 0 0 M END > (P4355505) P4355505 > (P4355505) 1 > (P4355505) 6 > (P4355505) 7 > (P4355505) 1.700000000000000e+000 > (P4355505) 5 > (P4355505) 1.035000000000000e+002 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 2.1792 -1.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4375 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4417 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -1.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3000 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -4.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 4 2 0 0 0 0 18 22 1 0 0 0 0 19 6 2 0 0 0 0 20 9 2 0 0 0 0 21 5 1 0 0 0 0 22 14 1 0 0 0 0 23 31 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 10 1 0 0 0 0 27 18 1 0 0 0 0 28 18 1 0 0 0 0 29 15 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 24 1 0 0 0 0 33 25 2 0 0 0 0 34 33 1 0 0 0 0 7 10 1 0 0 0 0 6 5 1 0 0 0 0 26 34 2 0 0 0 0 15 16 2 0 0 0 0 30 23 1 0 0 0 0 M END > (P4355506) P4355506 > (P4355506) 1 > (P4355506) 6 > (P4355506) 6 > (P4355506) 1.200000000000000e+000 > (P4355506) 5 > (P4355506) 1.035000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 0.7667 -0.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0375 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -1.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6042 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8792 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 4 2 0 0 0 0 18 22 1 0 0 0 0 19 6 2 0 0 0 0 20 9 2 0 0 0 0 21 5 1 0 0 0 0 22 14 1 0 0 0 0 23 7 1 0 0 0 0 24 33 1 0 0 0 0 25 23 1 0 0 0 0 26 25 2 0 0 0 0 27 8 1 0 0 0 0 28 10 1 0 0 0 0 29 18 1 0 0 0 0 30 18 1 0 0 0 0 31 15 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 27 2 0 0 0 0 35 34 1 0 0 0 0 7 10 1 0 0 0 0 6 5 1 0 0 0 0 28 35 2 0 0 0 0 15 16 2 0 0 0 0 32 24 1 0 0 0 0 M END > (P4355512) P4355512 > (P4355512) 1 > (P4355512) 6 > (P4355512) 7 > (P4355512) 1.500000000000000e+000 > (P4355512) 5 > (P4355512) 1.035000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 2.0292 -1.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -1.5750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3000 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8667 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -3.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4625 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 26 1 0 0 0 0 19 9 2 0 0 0 0 20 5 1 0 0 0 0 21 3 1 0 0 0 0 22 32 1 0 0 0 0 23 7 1 0 0 0 0 24 21 1 0 0 0 0 25 8 1 0 0 0 0 26 24 1 0 0 0 0 27 10 1 0 0 0 0 28 18 1 0 0 0 0 29 18 1 0 0 0 0 30 14 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 23 1 0 0 0 0 34 25 2 0 0 0 0 35 34 1 0 0 0 0 36 33 1 0 0 0 0 7 10 1 0 0 0 0 6 5 1 0 0 0 0 27 35 2 0 0 0 0 14 15 2 0 0 0 0 31 22 1 0 0 0 0 M END > (P4355515) P4355515 > (P4355515) 1 > (P4355515) 6 > (P4355515) 8 > (P4355515) 1.800000000000000e+000 > (P4355515) 5 > (P4355515) 1.035000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 1.3667 -0.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6250 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -1.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2042 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8000 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 28 1 0 0 0 0 19 9 2 0 0 0 0 20 5 1 0 0 0 0 21 3 1 0 0 0 0 22 7 1 0 0 0 0 23 34 1 0 0 0 0 24 22 1 0 0 0 0 25 24 2 0 0 0 0 26 21 1 0 0 0 0 27 8 1 0 0 0 0 28 26 1 0 0 0 0 29 10 1 0 0 0 0 30 18 1 0 0 0 0 31 18 1 0 0 0 0 32 14 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 27 2 0 0 0 0 36 35 1 0 0 0 0 7 10 1 0 0 0 0 6 5 1 0 0 0 0 29 36 2 0 0 0 0 14 15 2 0 0 0 0 33 23 1 0 0 0 0 M END > (P4355522) P4355522 > (P4355522) 1 > (P4355522) 6 > (P4355522) 8 > (P4355522) 1.500000000000000e+000 > (P4355522) 5 > (P4355522) 1.035000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.1542 -1.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4042 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -2.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4250 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -1.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9917 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -4.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 10 2 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 7 1 0 0 0 0 22 20 1 0 0 0 0 23 8 1 0 0 0 0 24 26 1 0 0 0 0 25 11 1 0 0 0 0 26 22 1 0 0 0 0 27 14 1 0 0 0 0 28 15 1 0 0 0 0 29 24 1 0 0 0 0 30 24 1 0 0 0 0 31 21 1 0 0 0 0 32 23 2 0 0 0 0 33 32 1 0 0 0 0 34 27 2 0 0 0 0 35 28 2 0 0 0 0 11 7 1 0 0 0 0 5 6 1 0 0 0 0 25 33 2 0 0 0 0 14 15 2 0 0 0 0 35 34 1 0 0 0 0 M END > (P4357028) P4357028 > (P4357028) 1 > (P4357028) 5 > (P4357028) 7 > (P4357028) 2.600000000000000e+000 > (P4357028) 5 > (P4357028) 9.430000000000000e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 1.3500 -3.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6125 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -3.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6167 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -3.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1875 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -6.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 9 2 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 10 1 0 0 0 0 24 20 1 0 0 0 0 25 27 1 0 0 0 0 26 14 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 21 1 0 0 0 0 30 22 2 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 10 7 1 0 0 0 0 5 6 1 0 0 0 0 23 31 2 0 0 0 0 15 14 2 0 0 0 0 M END > (P4357093) P4357093 > (P4357093) 1 > (P4357093) 5 > (P4357093) 8 > (P4357093) 1.800000000000000e+000 > (P4357093) 4 > (P4357093) 1.003000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -0.2458 -1.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0125 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9833 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -1.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4083 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -3.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0750 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 4 2 0 0 0 0 18 6 2 0 0 0 0 19 9 2 0 0 0 0 20 5 1 0 0 0 0 21 7 1 0 0 0 0 22 14 1 0 0 0 0 23 22 1 0 0 0 0 24 8 1 0 0 0 0 25 10 1 0 0 0 0 26 15 1 0 0 0 0 27 23 1 0 0 0 0 28 23 1 0 0 0 0 29 21 1 0 0 0 0 30 24 2 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 10 7 1 0 0 0 0 5 6 1 0 0 0 0 25 31 2 0 0 0 0 16 15 2 0 0 0 0 M END > (P4357130) P4357130 > (P4357130) 1 > (P4357130) 5 > (P4357130) 7 > (P4357130) 2.000000000000000e+000 > (P4357130) 4 > (P4357130) 9.430000000000000e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 1.0417 -0.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2917 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3125 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.9667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2583 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 10 2 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 7 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 20 1 0 0 0 0 25 8 1 0 0 0 0 26 28 1 0 0 0 0 27 11 1 0 0 0 0 28 24 1 0 0 0 0 29 14 1 0 0 0 0 30 15 1 0 0 0 0 31 26 1 0 0 0 0 32 26 1 0 0 0 0 33 25 2 0 0 0 0 34 33 1 0 0 0 0 35 30 2 0 0 0 0 36 29 2 0 0 0 0 7 11 1 0 0 0 0 6 5 1 0 0 0 0 34 27 2 0 0 0 0 14 15 2 0 0 0 0 35 36 1 0 0 0 0 M END > (P4357488) P4357488 > (P4357488) 1 > (P4357488) 5 > (P4357488) 8 > (P4357488) 2.900000000000000e+000 > (P4357488) 5 > (P4357488) 9.430000000000000e+001 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 4.9542 -6.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2167 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2292 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -6.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7917 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -4.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -9.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 23 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 5 1 0 0 0 0 22 3 1 0 0 0 0 23 19 2 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 9 1 0 0 0 0 27 22 1 0 0 0 0 28 31 1 0 0 0 0 29 18 1 0 0 0 0 30 20 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 24 1 0 0 0 0 34 25 2 0 0 0 0 35 34 1 0 0 0 0 36 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 35 26 2 0 0 0 0 12 16 2 0 0 0 0 30 29 1 0 0 0 0 M END > (P4357584) P4357584 > (P4357584) 1 > (P4357584) 7 > (P4357584) 8 > (P4357584) 2.100000000000000e+000 > (P4357584) 5 > (P4357584) 1.056000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 5.5167 -6.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7792 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -6.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7917 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.3750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3542 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -8.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 22 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 5 1 0 0 0 0 22 19 2 0 0 0 0 23 3 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 9 1 0 0 0 0 27 30 1 0 0 0 0 28 18 1 0 0 0 0 29 20 1 0 0 0 0 30 23 1 0 0 0 0 31 27 1 0 0 0 0 32 24 1 0 0 0 0 33 25 2 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 26 2 0 0 0 0 12 16 2 0 0 0 0 29 28 1 0 0 0 0 M END > (P4357590) P4357590 > (P4357590) 1 > (P4357590) 7 > (P4357590) 7 > (P4357590) 2.000000000000000e+000 > (P4357590) 5 > (P4357590) 1.056000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 0.8750 -0.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1292 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.3375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1375 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 3.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -4.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4250 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 23 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 5 1 0 0 0 0 22 3 1 0 0 0 0 23 19 2 0 0 0 0 24 7 1 0 0 0 0 25 22 1 0 0 0 0 26 8 1 0 0 0 0 27 29 1 0 0 0 0 28 9 1 0 0 0 0 29 25 1 0 0 0 0 30 18 1 0 0 0 0 31 20 1 0 0 0 0 32 27 1 0 0 0 0 33 27 1 0 0 0 0 34 24 1 0 0 0 0 35 26 2 0 0 0 0 36 35 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 36 28 2 0 0 0 0 12 16 2 0 0 0 0 31 30 1 0 0 0 0 M END > (P4357610) P4357610 > (P4357610) 1 > (P4357610) 7 > (P4357610) 7 > (P4357610) 1.800000000000000e+000 > (P4357610) 5 > (P4357610) 9.960000000000002e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.6167 -1.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8667 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -1.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8875 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -1.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4542 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -3.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9375 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 4 2 0 0 0 0 18 6 2 0 0 0 0 19 10 2 0 0 0 0 20 5 1 0 0 0 0 21 7 1 0 0 0 0 22 14 1 0 0 0 0 23 22 1 0 0 0 0 24 8 1 0 0 0 0 25 11 1 0 0 0 0 26 15 1 0 0 0 0 27 16 1 0 0 0 0 28 23 1 0 0 0 0 29 23 1 0 0 0 0 30 21 1 0 0 0 0 31 24 2 0 0 0 0 32 31 1 0 0 0 0 33 27 2 0 0 0 0 34 26 2 0 0 0 0 35 30 1 0 0 0 0 7 11 1 0 0 0 0 6 5 1 0 0 0 0 32 25 2 0 0 0 0 15 16 2 0 0 0 0 33 34 1 0 0 0 0 M END > (P4357632) P4357632 > (P4357632) 1 > (P4357632) 5 > (P4357632) 7 > (P4357632) 3.100000000000000e+000 > (P4357632) 5 > (P4357632) 9.430000000000000e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.0458 -0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -1.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2083 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 22 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 5 1 0 0 0 0 22 19 2 0 0 0 0 23 3 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 9 1 0 0 0 0 27 30 1 0 0 0 0 28 18 1 0 0 0 0 29 20 1 0 0 0 0 30 23 1 0 0 0 0 31 27 1 0 0 0 0 32 24 1 0 0 0 0 33 25 2 0 0 0 0 34 33 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 34 26 2 0 0 0 0 12 16 2 0 0 0 0 29 28 1 0 0 0 0 M END > (P4357658) P4357658 > (P4357658) 1 > (P4357658) 7 > (P4357658) 6 > (P4357658) 1.500000000000000e+000 > (P4357658) 5 > (P4357658) 1.056000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 5.6542 -6.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9167 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -6.3750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4917 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -9.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -8.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -10.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 23 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 5 1 0 0 0 0 22 3 1 0 0 0 0 23 19 2 0 0 0 0 24 7 1 0 0 0 0 25 24 1 0 0 0 0 26 25 2 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 22 1 0 0 0 0 30 33 1 0 0 0 0 31 18 1 0 0 0 0 32 20 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 27 2 0 0 0 0 36 35 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 36 28 2 0 0 0 0 12 16 2 0 0 0 0 32 31 1 0 0 0 0 M END > (P4357739) P4357739 > (P4357739) 1 > (P4357739) 7 > (P4357739) 8 > (P4357739) 1.800000000000000e+000 > (P4357739) 5 > (P4357739) 1.056000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 -0.2958 0.1625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0375 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -0.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0333 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4583 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 2.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 22 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 5 1 0 0 0 0 22 19 2 0 0 0 0 23 7 1 0 0 0 0 24 3 1 0 0 0 0 25 23 1 0 0 0 0 26 25 2 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 32 1 0 0 0 0 30 18 1 0 0 0 0 31 20 1 0 0 0 0 32 24 1 0 0 0 0 33 29 1 0 0 0 0 34 27 2 0 0 0 0 35 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 35 28 2 0 0 0 0 12 16 2 0 0 0 0 31 30 1 0 0 0 0 M END > (P4357740) P4357740 > (P4357740) 1 > (P4357740) 7 > (P4357740) 7 > (P4357740) 1.700000000000000e+000 > (P4357740) 5 > (P4357740) 1.056000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 1.1917 -1.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4500 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4625 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -1.3750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0292 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 2.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 22 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 5 1 0 0 0 0 22 19 2 0 0 0 0 23 3 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 9 1 0 0 0 0 27 30 1 0 0 0 0 28 18 1 0 0 0 0 29 20 1 0 0 0 0 30 23 1 0 0 0 0 31 27 1 0 0 0 0 32 24 1 0 0 0 0 33 25 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 35 26 2 0 0 0 0 12 16 2 0 0 0 0 29 28 1 0 0 0 0 M END > (P4357742) P4357742 > (P4357742) 1 > (P4357742) 7 > (P4357742) 8 > (P4357742) 2.500000000000000e+000 > (P4357742) 5 > (P4357742) 1.056000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 1.2875 -1.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5500 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5542 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -1.8125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1250 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -4.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6125 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 23 1 0 0 0 0 18 10 2 0 0 0 0 19 13 1 0 0 0 0 20 11 1 0 0 0 0 21 17 1 0 0 0 0 22 5 1 0 0 0 0 23 20 2 0 0 0 0 24 7 1 0 0 0 0 25 12 1 0 0 0 0 26 25 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 19 1 0 0 0 0 30 21 1 0 0 0 0 31 26 1 0 0 0 0 32 26 1 0 0 0 0 33 24 1 0 0 0 0 34 27 2 0 0 0 0 35 34 1 0 0 0 0 7 9 1 0 0 0 0 6 5 1 0 0 0 0 35 28 2 0 0 0 0 13 17 2 0 0 0 0 30 29 1 0 0 0 0 M END > (P4357743) P4357743 > (P4357743) 1 > (P4357743) 7 > (P4357743) 6 > (P4357743) 1.700000000000000e+000 > (P4357743) 5 > (P4357743) 9.960000000000002e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 4.8417 0.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.2833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7042 -1.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 2 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 12 2 0 0 0 0 18 12 1 0 0 0 0 19 16 1 0 0 0 0 20 15 2 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 19 2 0 0 0 0 24 21 1 0 0 0 0 4 6 1 0 0 0 0 23 20 1 0 0 0 0 24 22 2 0 0 0 0 M END > (P4500861) P4500861 > (P4500861) 1 > (P4500861) 3 > (P4500861) 5 > (P4500861) 3.000000000000000e+000 > (P4500861) 3 > (P4500861) 7.440000000000001e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 1.5000 1.5458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0458 0.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1000 1.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 1.3625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8875 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 6 2 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 19 1 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 17 2 0 0 0 0 24 17 1 0 0 0 0 25 20 1 0 0 0 0 26 22 1 0 0 0 0 27 21 2 0 0 0 0 28 24 2 0 0 0 0 29 23 1 0 0 0 0 30 28 1 0 0 0 0 31 26 2 0 0 0 0 2 3 1 0 0 0 0 8 5 1 0 0 0 0 29 30 2 0 0 0 0 16 18 2 0 0 0 0 27 31 1 0 0 0 0 M END > (P5270560030) P5270560030 > (P5270560030) 0 > (P5270560030) 5 > (P5270560030) 5 > (P5270560030) 3.900000000000000e+000 > (P5270560030) 5 > (P5270560030) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 1.5542 1.1083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2917 1.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2917 0.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.1083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4833 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.4333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2792 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 1.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 21 2 0 0 0 0 20 24 2 0 0 0 0 21 16 1 0 0 0 0 22 15 2 0 0 0 0 23 17 2 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 14 1 0 0 0 0 27 20 1 0 0 0 0 28 9 1 0 0 0 0 29 14 1 0 0 0 0 30 26 1 0 0 0 0 31 28 2 0 0 0 0 32 31 1 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 32 29 2 0 0 0 0 20 23 1 0 0 0 0 19 22 1 0 0 0 0 M END > (P5270560031) P5270560031 > (P5270560031) 1 > (P5270560031) 6 > (P5270560031) 4 > (P5270560031) 4.300000000000000e+000 > (P5270560031) 5 > (P5270560031) 7.930000000000001e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 5.0167 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -3.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0167 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -5.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -4.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 6 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 5 1 0 0 0 0 18 4 1 0 0 0 0 19 14 1 0 0 0 0 20 9 1 0 0 0 0 21 14 1 0 0 0 0 22 16 2 0 0 0 0 23 16 1 0 0 0 0 24 15 2 0 0 0 0 25 15 1 0 0 0 0 26 19 1 0 0 0 0 27 20 2 0 0 0 0 28 27 1 0 0 0 0 29 23 2 0 0 0 0 30 24 1 0 0 0 0 31 25 2 0 0 0 0 32 22 1 0 0 0 0 33 31 1 0 0 0 0 34 29 1 0 0 0 0 5 2 2 0 0 0 0 21 28 2 0 0 0 0 32 34 2 0 0 0 0 30 33 2 0 0 0 0 M END > (P6051798) P6051798 > (P6051798) 3 > (P6051798) 4 > (P6051798) 6 > (P6051798) 3.700000000000000e+000 > (P6051798) 4 > (P6051798) 7.950000000000000e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.0167 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -3.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0167 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -5.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -4.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -0.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 7 2 0 0 0 0 13 6 2 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 21 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 15 2 0 0 0 0 22 14 1 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 16 2 0 0 0 0 26 16 1 0 0 0 0 27 17 2 0 0 0 0 28 25 1 0 0 0 0 29 26 2 0 0 0 0 30 27 1 0 0 0 0 31 24 2 0 0 0 0 32 30 2 0 0 0 0 33 29 1 0 0 0 0 2 5 2 0 0 0 0 18 22 2 0 0 0 0 32 31 1 0 0 0 0 33 28 2 0 0 0 0 M END > (P6051806) P6051806 > (P6051806) 3 > (P6051806) 3 > (P6051806) 5 > (P6051806) 4.400000000000000e+000 > (P6051806) 4 > (P6051806) 7.019999999999999e+001 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 2.0542 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -3.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0542 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -5.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -3.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -5.1792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 8 2 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 3 1 0 0 0 0 15 13 1 0 0 0 0 16 8 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 19 12 1 0 0 0 0 20 19 1 0 0 0 0 6 4 1 0 0 0 0 13 18 2 0 0 0 0 M END > (P6052543) P6052543 > (P6052543) 3 > (P6052543) 4 > (P6052543) 4 > (P6052543) 2.500000000000000e+000 > (P6052543) 2 > (P6052543) 1.027000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 6.0667 -6.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7417 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -7.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -6.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3542 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -8.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -6.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3167 -7.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.8375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 12 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 10 1 0 0 0 0 22 16 1 0 0 0 0 23 18 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 5 4 1 0 0 0 0 14 13 1 0 0 0 0 22 27 2 0 0 0 0 M END > (P6052683) P6052683 > (P6052683) 1 > (P6052683) 3 > (P6052683) 7 > (P6052683) 4.000000000000000e+000 > (P6052683) 3 > (P6052683) 7.350000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 8.9167 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -6.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1750 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -6.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2542 -6.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -7.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -8.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.8375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 12 1 0 0 0 0 5 3 1 0 0 0 0 6 9 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 13 1 0 0 0 0 16 7 1 0 0 0 0 17 10 1 0 0 0 0 18 17 1 0 0 0 0 19 12 2 0 0 0 0 20 15 2 0 0 0 0 21 14 2 0 0 0 0 22 5 1 0 0 0 0 23 14 1 0 0 0 0 24 20 1 0 0 0 0 25 9 1 0 0 0 0 26 15 1 0 0 0 0 27 20 1 0 0 0 0 28 23 1 0 0 0 0 29 26 2 0 0 0 0 30 29 1 0 0 0 0 6 5 1 0 0 0 0 7 10 2 0 0 0 0 16 18 2 0 0 0 0 27 30 2 0 0 0 0 M END > (P6052736) P6052736 > (P6052736) 1 > (P6052736) 4 > (P6052736) 6 > (P6052736) 4.100000000000000e+000 > (P6052736) 4 > (P6052736) 9.129999999999998e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 8.1042 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -6.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9125 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -6.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.4417 -6.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -7.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -8.0375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -5.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 5 2 1 0 0 0 0 6 9 2 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 2 1 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 3 1 0 0 0 0 17 14 1 0 0 0 0 18 12 2 0 0 0 0 19 13 2 0 0 0 0 20 5 1 0 0 0 0 21 13 1 0 0 0 0 22 16 1 0 0 0 0 23 9 1 0 0 0 0 24 21 1 0 0 0 0 25 22 2 0 0 0 0 26 22 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 6 5 1 0 0 0 0 7 10 2 0 0 0 0 15 17 2 0 0 0 0 28 29 2 0 0 0 0 M END > (P6052869) P6052869 > (P6052869) 1 > (P6052869) 4 > (P6052869) 6 > (P6052869) 4.000000000000000e+000 > (P6052869) 4 > (P6052869) 1.064000000000000e+002 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 6.7792 -5.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7792 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -7.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -5.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 2 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 2 2 0 0 0 0 13 4 2 0 0 0 0 14 9 2 0 0 0 0 15 1 1 0 0 0 0 16 9 1 0 0 0 0 17 6 1 0 0 0 0 18 8 1 0 0 0 0 19 10 2 0 0 0 0 20 11 2 0 0 0 0 21 16 1 0 0 0 0 22 23 1 0 0 0 0 23 18 2 0 0 0 0 24 25 2 0 0 0 0 25 19 1 0 0 0 0 5 11 1 0 0 0 0 24 20 1 0 0 0 0 22 17 2 0 0 0 0 M END > (P6052893) P6052893 > (P6052893) 2 > (P6052893) 5 > (P6052893) 4 > (P6052893) 1.800000000000000e+000 > (P6052893) 3 > (P6052893) 9.370000000000002e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 3.2417 -1.9917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.1708 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -1.8292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3125 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0917 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -2.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0917 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -4.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8250 -2.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -6.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 15 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 1 2 0 0 0 0 14 1 2 0 0 0 0 15 17 2 0 0 0 0 16 2 2 0 0 0 0 17 9 1 0 0 0 0 18 6 1 0 0 0 0 19 10 2 0 0 0 0 20 25 1 0 0 0 0 21 3 1 0 0 0 0 22 4 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 18 2 0 0 0 0 28 18 1 0 0 0 0 29 28 2 0 0 0 0 30 27 1 0 0 0 0 31 29 1 0 0 0 0 7 5 2 0 0 0 0 2 4 1 0 0 0 0 31 30 2 0 0 0 0 20 26 1 0 0 0 0 M END > (P6052972) P6052972 > (P6052972) 0 > (P6052972) 5 > (P6052972) 5 > (P6052972) 8.000000000000000e-001 > (P6052972) 4 > (P6052972) 9.890000000000002e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.9375 -2.3792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5250 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0042 -0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -2.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3417 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 16 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 1 2 0 0 0 0 15 1 2 0 0 0 0 16 20 2 0 0 0 0 17 12 2 0 0 0 0 18 2 2 0 0 0 0 19 17 1 0 0 0 0 20 9 1 0 0 0 0 21 10 2 0 0 0 0 22 24 1 0 0 0 0 23 12 1 0 0 0 0 24 23 2 0 0 0 0 25 31 1 0 0 0 0 26 3 1 0 0 0 0 27 4 1 0 0 0 0 28 13 1 0 0 0 0 29 13 1 0 0 0 0 30 19 1 0 0 0 0 31 29 1 0 0 0 0 32 28 1 0 0 0 0 33 22 1 0 0 0 0 7 5 2 0 0 0 0 2 4 1 0 0 0 0 22 19 2 0 0 0 0 25 32 1 0 0 0 0 M END > (P6052974) P6052974 > (P6052974) 0 > (P6052974) 5 > (P6052974) 5 > (P6052974) 1.700000000000000e+000 > (P6052974) 4 > (P6052974) 9.890000000000002e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.9375 -2.3792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5250 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0042 -0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -2.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5167 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -1.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 15 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 1 2 0 0 0 0 14 1 2 0 0 0 0 15 18 2 0 0 0 0 16 6 1 0 0 0 0 17 2 2 0 0 0 0 18 9 1 0 0 0 0 19 10 2 0 0 0 0 20 31 1 0 0 0 0 21 16 2 0 0 0 0 22 16 1 0 0 0 0 23 3 1 0 0 0 0 24 4 1 0 0 0 0 25 26 1 0 0 0 0 26 22 2 0 0 0 0 27 21 1 0 0 0 0 28 25 1 0 0 0 0 29 12 1 0 0 0 0 30 12 1 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 7 5 2 0 0 0 0 25 27 2 0 0 0 0 2 4 1 0 0 0 0 20 32 1 0 0 0 0 M END > (P6052976) P6052976 > (P6052976) 0 > (P6052976) 5 > (P6052976) 5 > (P6052976) 1.400000000000000e+000 > (P6052976) 4 > (P6052976) 9.890000000000002e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 5.9417 -2.3792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0042 -0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -2.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -4.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -1.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 14 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 10 1 0 0 0 0 14 17 2 0 0 0 0 15 2 2 0 0 0 0 16 6 1 0 0 0 0 17 8 1 0 0 0 0 18 13 2 0 0 0 0 19 16 2 0 0 0 0 20 16 1 0 0 0 0 21 13 1 0 0 0 0 22 3 1 0 0 0 0 23 4 1 0 0 0 0 24 26 1 0 0 0 0 25 19 1 0 0 0 0 26 20 2 0 0 0 0 27 24 1 0 0 0 0 28 21 1 0 0 0 0 7 5 2 0 0 0 0 24 25 2 0 0 0 0 2 4 1 0 0 0 0 M END > (P6052977) P6052977 > (P6052977) 1 > (P6052977) 4 > (P6052977) 5 > (P6052977) 1.100000000000000e+000 > (P6052977) 3 > (P6052977) 9.840000000000002e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.9375 -2.3792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5250 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0042 -0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -2.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5167 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -1.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 15 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 1 2 0 0 0 0 14 1 2 0 0 0 0 15 18 2 0 0 0 0 16 6 1 0 0 0 0 17 2 2 0 0 0 0 18 9 1 0 0 0 0 19 10 2 0 0 0 0 20 16 1 0 0 0 0 21 16 2 0 0 0 0 22 3 1 0 0 0 0 23 4 1 0 0 0 0 24 25 2 0 0 0 0 25 21 1 0 0 0 0 26 20 2 0 0 0 0 27 24 1 0 0 0 0 28 12 1 0 0 0 0 29 12 1 0 0 0 0 30 29 1 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 7 5 2 0 0 0 0 24 26 1 0 0 0 0 2 4 1 0 0 0 0 32 31 1 0 0 0 0 M END > (P6052978) P6052978 > (P6052978) 0 > (P6052978) 4 > (P6052978) 5 > (P6052978) 2.200000000000000e+000 > (P6052978) 4 > (P6052978) 8.960000000000002e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 5.2500 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0000 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6167 -4.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -4.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -5.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -0.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1042 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 7 1 0 0 0 0 15 3 1 0 0 0 0 16 24 2 0 0 0 0 17 2 1 0 0 0 0 18 17 1 0 0 0 0 19 21 1 0 0 0 0 20 10 1 0 0 0 0 21 18 1 0 0 0 0 22 11 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 25 14 1 0 0 0 0 26 14 2 0 0 0 0 27 19 1 0 0 0 0 28 19 1 0 0 0 0 2 4 1 0 0 0 0 16 23 1 0 0 0 0 8 9 1 0 0 0 0 M END > (P6053380) P6053380 > (P6053380) 2 > (P6053380) 6 > (P6053380) 7 > (P6053380) 3.000000000000000e-001 > (P6053380) 3 > (P6053380) 1.024000000000000e+002 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 6.2417 -11.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4167 -11.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8292 -12.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -11.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -11.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -10.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -10.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6542 -9.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -10.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -11.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -11.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -11.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -10.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -8.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -10.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -8.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -11.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -9.3542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -10.1750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3750 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -9.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -10.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 4 2 0 0 0 0 12 10 1 0 0 0 0 13 9 2 0 0 0 0 14 12 2 0 0 0 0 15 8 2 0 0 0 0 16 7 1 0 0 0 0 17 8 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 23 20 1 0 0 0 0 2 3 1 0 0 0 0 14 13 1 0 0 0 0 M END > (P6138670) P6138670 > (P6138670) 1 > (P6138670) 3 > (P6138670) 7 > (P6138670) 4.200000000000000e+000 > (P6138670) 2 > (P6138670) 5.540000000000000e+001 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4292 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -4.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 3 2 0 0 0 0 12 11 1 0 0 0 0 13 4 2 0 0 0 0 14 7 2 0 0 0 0 15 12 2 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 13 1 0 0 0 0 21 20 2 0 0 0 0 9 15 1 0 0 0 0 21 14 1 0 0 0 0 M END > (P6138831) P6138831 > (P6138831) 1 > (P6138831) 3 > (P6138831) 6 > (P6138831) 3.800000000000000e+000 > (P6138831) 2 > (P6138831) 6.359999999999999e+001 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3292 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -3.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -2.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 9 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 12 20 2 0 0 0 0 13 21 2 0 0 0 0 M END > (P6138872) P6138872 > (P6138872) 1 > (P6138872) 3 > (P6138872) 6 > (P6138872) 3.800000000000000e+000 > (P6138872) 2 > (P6138872) 6.359999999999999e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 3.5042 -3.2917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6542 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -4.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 1 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 18 11 1 0 0 0 0 19 13 2 0 0 0 0 20 12 2 0 0 0 0 21 20 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 21 15 2 0 0 0 0 16 23 2 0 0 0 0 M END > (P6138955) P6138955 > (P6138955) 1 > (P6138955) 4 > (P6138955) 6 > (P6138955) 2.800000000000000e+000 > (P6138955) 2 > (P6138955) 8.090000000000002e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 3.9917 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -5.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7292 -5.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9250 -4.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -5.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -5.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8667 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -8.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 8 1 0 0 0 0 17 7 2 0 0 0 0 18 11 1 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 3 1 0 0 0 0 22 5 1 0 0 0 0 23 16 2 0 0 0 0 24 13 1 0 0 0 0 25 23 1 0 0 0 0 26 28 1 0 0 0 0 27 23 1 0 0 0 0 28 24 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 5 9 1 0 0 0 0 15 25 2 0 0 0 0 10 11 2 0 0 0 0 20 18 2 0 0 0 0 M END > (P6236710) P6236710 > (P6236710) 1 > (P6236710) 5 > (P6236710) 7 > (P6236710) 2.700000000000000e+000 > (P6236710) 4 > (P6236710) 9.880000000000001e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 5.7750 -5.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4792 -6.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4792 -5.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7750 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -7.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 9 1 0 0 0 0 13 2 1 0 0 0 0 3 14 1 1 0 0 0 15 3 1 6 0 0 0 16 6 1 0 0 0 0 17 7 1 0 0 0 0 18 12 1 0 0 0 0 19 22 1 0 0 0 0 20 9 2 0 0 0 0 21 12 2 0 0 0 0 22 13 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 15 1 0 0 0 0 26 14 1 0 0 0 0 27 16 2 0 0 0 0 28 27 1 0 0 0 0 29 20 1 0 0 0 0 30 29 2 0 0 0 0 2 4 1 0 0 0 0 25 26 1 0 0 0 0 17 28 2 0 0 0 0 21 30 1 0 0 0 0 M END > (P6237888) P6237888 > (P6237888) 1 > (P6237888) 4 > (P6237888) 6 > (P6237888) 2.900000000000000e+000 > (P6237888) 4 > (P6237888) 6.790000000000001e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0500 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -1.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3125 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.8375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 13 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 15 2 0 0 0 0 20 19 1 0 0 0 0 21 13 2 0 0 0 0 22 11 1 0 0 0 0 23 21 1 0 0 0 0 24 12 1 0 0 0 0 25 27 1 0 0 0 0 26 23 2 0 0 0 0 27 16 1 0 0 0 0 28 20 1 0 0 0 0 29 25 1 0 0 0 0 30 22 2 0 0 0 0 31 24 2 0 0 0 0 5 6 2 0 0 0 0 11 12 2 0 0 0 0 19 26 1 0 0 0 0 30 31 1 0 0 0 0 M END > (P6239302) P6239302 > (P6239302) 1 > (P6239302) 4 > (P6239302) 7 > (P6239302) 4.500000000000000e+000 > (P6239302) 4 > (P6239302) 9.360000000000002e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 6.7875 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -0.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -0.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -1.4667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -3.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -2.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6542 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3625 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0875 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7917 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 17 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 20 18 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 15 1 0 0 0 0 24 21 2 0 0 0 0 25 20 1 0 0 0 0 26 24 1 0 0 0 0 5 4 2 0 0 0 0 12 14 2 0 0 0 0 26 25 2 0 0 0 0 M END > (P6240179) P6240179 > (P6240179) 1 > (P6240179) 4 > (P6240179) 7 > (P6240179) 4.500000000000000e+000 > (P6240179) 3 > (P6240179) 9.240000000000001e+001 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 2.0667 -5.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3417 -5.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -5.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6417 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -6.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5208 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 3 2 0 0 0 0 14 6 2 0 0 0 0 15 11 2 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 10 18 1 6 0 0 0 19 21 2 0 0 0 0 20 11 1 0 0 0 0 21 17 1 0 0 0 0 22 16 2 0 0 0 0 23 19 1 0 0 0 0 24 18 1 0 0 0 0 25 18 1 0 0 0 0 26 20 1 0 0 0 0 8 5 1 0 0 0 0 22 19 1 0 0 0 0 M END > (P6243823) P6243823 > (P6243823) 1 > (P6243823) 5 > (P6243823) 7 > (P6243823) 2.000000000000000e+000 > (P6243823) 2 > (P6243823) 8.810000000000002e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 4.3792 -10.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -8.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -9.6375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8167 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -9.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -11.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -10.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -11.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -11.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -9.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -8.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -9.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3917 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -12.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -9.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9667 -8.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5292 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 8 2 0 0 0 0 12 7 2 0 0 0 0 13 4 1 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 18 1 0 0 0 0 17 11 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 20 1 0 0 0 0 3 6 2 0 0 0 0 10 5 2 0 0 0 0 M END > (P6246948) P6246948 > (P6246948) 1 > (P6246948) 3 > (P6246948) 6 > (P6246948) 3.400000000000000e+000 > (P6246948) 2 > (P6246948) 5.980000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 5.9167 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -4.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -1.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -4.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 2 0 0 0 0 13 9 2 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 16 7 1 0 0 0 0 17 5 1 0 0 0 0 18 10 1 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 9 1 0 0 0 0 22 16 1 0 0 0 0 4 5 1 0 0 0 0 19 14 1 0 0 0 0 M END > (P6328313) P6328313 > (P6328313) 1 > (P6328313) 3 > (P6328313) 5 > (P6328313) 4.300000000000000e+000 > (P6328313) 2 > (P6328313) 5.920000000000000e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 4.5750 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -3.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -4.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 7 2 0 0 0 0 14 5 2 0 0 0 0 15 6 2 0 0 0 0 16 4 2 0 0 0 0 17 12 2 0 0 0 0 18 10 2 0 0 0 0 19 11 2 0 0 0 0 20 8 2 0 0 0 0 21 15 1 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 2 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 6 8 1 0 0 0 0 21 25 2 0 0 0 0 14 17 1 0 0 0 0 M END > (P6328595) P6328595 > (P6328595) 1 > (P6328595) 5 > (P6328595) 6 > (P6328595) 3.900000000000000e+000 > (P6328595) 3 > (P6328595) 9.480000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 4.0542 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -4.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -3.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 14 1 0 0 0 0 14 12 2 0 0 0 0 15 2 1 0 0 0 0 16 4 1 0 0 0 0 17 3 2 0 0 0 0 18 11 2 0 0 0 0 19 8 1 0 0 0 0 20 16 2 0 0 0 0 21 11 1 0 0 0 0 22 20 1 0 0 0 0 23 13 1 0 0 0 0 24 14 1 0 0 0 0 25 20 1 0 0 0 0 26 15 2 0 0 0 0 27 15 1 0 0 0 0 28 25 1 0 0 0 0 29 21 1 0 0 0 0 30 23 1 0 0 0 0 31 24 1 0 0 0 0 32 28 1 0 0 0 0 33 27 2 0 0 0 0 34 26 1 0 0 0 0 35 33 1 0 0 0 0 8 5 1 0 0 0 0 22 19 2 0 0 0 0 34 35 2 0 0 0 0 10 13 2 0 0 0 0 M END > (P6463709) P6463709 > (P6463709) 1 > (P6463709) 6 > (P6463709) 9 > (P6463709) 4.900000000000000e+000 > (P6463709) 4 > (P6463709) 9.619999999999999e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 9.1792 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -2.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5042 -2.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7542 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -1.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -3.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -4.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0125 -3.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -4.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -4.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6542 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1875 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 10 1 0 0 0 0 5 12 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 5 2 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 15 2 0 0 0 0 20 19 1 0 0 0 0 14 21 1 6 0 0 0 22 18 2 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 9 6 2 0 0 0 0 20 17 2 0 0 0 0 8 11 1 0 0 0 0 25 26 2 0 0 0 0 M END > (P6667661) P6667661 > (P6667661) 1 > (P6667661) 6 > (P6667661) 5 > (P6667661) 7.000000000000000e-001 > (P6667661) 4 > (P6667661) 1.029000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 12.5375 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5792 -7.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.2042 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -6.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8250 -6.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5125 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1792 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3667 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8792 -5.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5167 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 -2.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -6.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8417 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 -5.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5917 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2125 -8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0042 -8.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -4.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 6 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 2 1 0 0 0 0 15 6 1 0 0 0 0 16 7 2 0 0 0 0 17 8 1 0 0 0 0 18 14 2 0 0 0 0 19 18 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 21 2 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 12 26 1 6 0 0 0 27 25 1 0 0 0 0 8 5 2 0 0 0 0 19 17 2 0 0 0 0 11 10 1 0 0 0 0 22 24 2 0 0 0 0 M END > (P6667673) P6667673 > (P6667673) 2 > (P6667673) 5 > (P6667673) 5 > (P6667673) 2.000000000000000e+000 > (P6667673) 4 > (P6667673) 9.719999999999999e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 2.2417 0.7875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9125 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -0.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5667 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 0.2583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5292 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 3.2708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 6 1 0 0 0 0 17 8 1 0 0 0 0 18 16 2 0 0 0 0 19 9 2 0 0 0 0 20 15 2 0 0 0 0 21 5 1 0 0 0 0 22 20 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 15 1 0 0 0 0 26 14 1 0 0 0 0 27 20 1 0 0 0 0 28 23 2 0 0 0 0 29 25 2 0 0 0 0 30 24 2 0 0 0 0 31 29 1 0 0 0 0 8 7 1 0 0 0 0 18 17 1 0 0 0 0 27 31 2 0 0 0 0 11 12 2 0 0 0 0 30 28 1 0 0 0 0 M END > (P6922955) P6922955 > (P6922955) 1 > (P6922955) 2 > (P6922955) 5 > (P6922955) 5.000000000000000e+000 > (P6922955) 5 > (P6922955) 6.500000000000000e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 1.5417 -0.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4500 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8292 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -3.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9625 -0.6125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2042 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 9 1 0 0 0 0 11 2 2 0 0 0 0 12 3 2 0 0 0 0 13 4 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 8 1 0 0 0 0 17 7 1 0 0 0 0 18 6 1 0 0 0 0 19 10 2 0 0 0 0 20 21 2 0 0 0 0 21 14 1 0 0 0 0 22 14 1 0 0 0 0 23 15 1 0 0 0 0 24 15 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 18 2 0 0 0 0 28 17 2 0 0 0 0 7 6 2 0 0 0 0 28 27 1 0 0 0 0 20 19 1 0 0 0 0 M END > (P7010020340) P7010020340 > (P7010020340) 1 > (P7010020340) 3 > (P7010020340) 5 > (P7010020340) 4.500000000000000e+000 > (P7010020340) 3 > (P7010020340) 6.650000000000000e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 2.9292 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -4.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.3542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 15 1 0 0 0 0 14 6 1 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 21 1 0 0 0 0 20 9 1 0 0 0 0 21 10 2 0 0 0 0 22 14 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 20 19 2 0 0 0 0 7 13 2 0 0 0 0 M END > (P7010020389) P7010020389 > (P7010020389) 1 > (P7010020389) 5 > (P7010020389) 6 > (P7010020389) 3.200000000000000e+000 > (P7010020389) 2 > (P7010020389) 7.390000000000001e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 4.4792 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -2.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -4.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 10 1 0 0 0 0 12 2 1 0 0 0 0 13 8 2 0 0 0 0 14 5 2 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 6 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 13 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 23 1 0 0 0 0 26 21 1 0 0 0 0 9 6 2 0 0 0 0 24 22 1 0 0 0 0 13 11 1 0 0 0 0 25 20 1 0 0 0 0 M END > (P7010050024) P7010050024 > (P7010050024) 1 > (P7010050024) 3 > (P7010050024) 5 > (P7010050024) 5.000000000000000e+000 > (P7010050024) 4 > (P7010050024) 1.119000000000000e+002 $$$$ -ISIS- 08092202382D 30 35 0 0 0 0 0 0 0 0999 V2000 3.5875 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3667 -2.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3875 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -4.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 12 2 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 4 2 0 0 0 0 16 8 1 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 19 14 2 0 0 0 0 20 22 1 0 0 0 0 21 7 1 0 0 0 0 22 17 2 0 0 0 0 23 19 1 0 0 0 0 24 18 2 0 0 0 0 25 23 2 0 0 0 0 26 20 1 0 0 0 0 27 13 1 0 0 0 0 28 25 1 0 0 0 0 29 21 2 0 0 0 0 30 29 1 0 0 0 0 9 13 1 0 0 0 0 8 5 1 0 0 0 0 10 11 1 0 0 0 0 27 30 2 0 0 0 0 16 20 2 0 0 0 0 25 24 1 0 0 0 0 M END > (P7012220019) P7012220019 > (P7012220019) 1 > (P7012220019) 4 > (P7012220019) 1 > (P7012220019) 4.900000000000000e+000 > (P7012220019) 6 > (P7012220019) 5.390000000000000e+001 $$$$ -ISIS- 08092202382D 29 34 0 0 0 0 0 0 0 0999 V2000 3.9792 -3.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7625 -2.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -2.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7792 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -4.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.8875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 13 2 0 0 0 0 12 7 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 4 2 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 20 2 0 0 0 0 19 7 1 0 0 0 0 20 17 1 0 0 0 0 21 16 2 0 0 0 0 22 18 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 19 2 0 0 0 0 27 28 1 0 0 0 0 28 25 2 0 0 0 0 29 26 1 0 0 0 0 8 12 1 0 0 0 0 11 5 1 0 0 0 0 9 10 1 0 0 0 0 24 29 2 0 0 0 0 23 27 2 0 0 0 0 18 21 1 0 0 0 0 M END > (P7012220046) P7012220046 > (P7012220046) 1 > (P7012220046) 4 > (P7012220046) 1 > (P7012220046) 4.300000000000000e+000 > (P7012220046) 6 > (P7012220046) 5.390000000000000e+001 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 6.3167 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 0.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 1.4708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 3.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 3.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 2 2 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 3 1 0 0 0 0 14 5 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 9 2 0 0 0 0 18 11 2 0 0 0 0 19 13 1 0 0 0 0 20 16 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 23 1 0 0 0 0 25 17 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 0 0 0 0 3 5 2 0 0 0 0 18 27 1 0 0 0 0 M END > (P7012701867) P7012701867 > (P7012701867) 1 > (P7012701867) 5 > (P7012701867) 9 > (P7012701867) 4.600000000000000e+000 > (P7012701867) 2 > (P7012701867) 6.600000000000000e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.7708 1.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7708 0.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6875 1.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2208 1.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1167 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 0.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1458 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -3.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0458 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 8 1 0 0 0 0 13 5 2 0 0 0 0 14 6 2 0 0 0 0 15 20 2 0 0 0 0 16 9 2 0 0 0 0 17 11 2 0 0 0 0 18 10 1 0 0 0 0 19 10 2 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 12 2 0 0 0 0 23 12 1 0 0 0 0 24 27 1 0 0 0 0 25 11 1 0 0 0 0 26 22 1 0 0 0 0 27 23 2 0 0 0 0 28 24 1 0 0 0 0 29 9 1 0 0 0 0 30 16 1 0 0 0 0 31 16 1 0 0 0 0 32 25 1 0 0 0 0 33 29 2 0 0 0 0 34 33 1 0 0 0 0 4 8 1 0 0 0 0 3 6 1 0 0 0 0 15 21 1 0 0 0 0 24 26 2 0 0 0 0 31 34 2 0 0 0 0 M END > (P7012720030) P7012720030 > (P7012720030) 0 > (P7012720030) 6 > (P7012720030) 5 > (P7012720030) 4.400000000000000e+000 > (P7012720030) 5 > (P7012720030) 7.619999999999999e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 5.5542 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -3.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -3.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 20 1 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 15 1 0 0 0 0 23 16 2 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 23 1 0 0 0 0 6 3 2 0 0 0 0 24 25 2 0 0 0 0 22 26 2 0 0 0 0 M END > (P7013460040) P7013460040 > (P7013460040) 3 > (P7013460040) 3 > (P7013460040) 6 > (P7013460040) 2.600000000000000e+000 > (P7013460040) 3 > (P7013460040) 1.067000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 5.8375 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -3.6292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -4.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3875 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -4.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 12 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 4 1 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 9 1 0 0 0 0 19 14 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 24 19 1 0 0 0 0 25 21 2 0 0 0 0 26 20 1 0 0 0 0 27 25 1 0 0 0 0 5 4 2 0 0 0 0 22 23 1 0 0 0 0 27 26 2 0 0 0 0 M END > (P7013460151) P7013460151 > (P7013460151) 1 > (P7013460151) 4 > (P7013460151) 8 > (P7013460151) 3.900000000000000e+000 > (P7013460151) 3 > (P7013460151) 8.690000000000001e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 -0.9958 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0958 -1.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8042 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -3.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -3.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 2.9708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 9 2 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 17 1 0 0 0 0 21 16 1 0 0 0 0 22 15 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 8 10 2 0 0 0 0 2 4 1 0 0 0 0 18 17 2 0 0 0 0 M END > (P7013590908) P7013590908 > (P7013590908) 1 > (P7013590908) 5 > (P7013590908) 6 > (P7013590908) 3.400000000000000e+000 > (P7013590908) 3 > (P7013590908) 6.900000000000000e+001 $$$$ -ISIS- 08092202382D 22 24 0 0 0 0 0 0 0 0999 V2000 5.2792 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -5.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6667 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -4.7125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6667 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -5.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 9 1 0 0 0 0 13 11 2 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 9 2 0 0 0 0 17 11 1 0 0 0 0 18 12 2 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 8 10 2 0 0 0 0 3 4 1 0 0 0 0 18 22 1 0 0 0 0 M END > (P7014211311) P7014211311 > (P7014211311) 1 > (P7014211311) 5 > (P7014211311) 4 > (P7014211311) 1.600000000000000e+000 > (P7014211311) 3 > (P7014211311) 6.900000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 5.9542 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -5.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2625 -4.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9542 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -6.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -5.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -5.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -4.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5667 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 14 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 14 2 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 22 18 1 0 0 0 0 23 17 1 0 0 0 0 24 20 1 0 0 0 0 25 23 2 0 0 0 0 2 3 1 0 0 0 0 8 11 1 0 0 0 0 19 25 1 0 0 0 0 M END > (P7014211374) P7014211374 > (P7014211374) 1 > (P7014211374) 6 > (P7014211374) 6 > (P7014211374) 2.400000000000000e+000 > (P7014211374) 3 > (P7014211374) 7.830000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 5.5875 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -5.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8917 -4.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2875 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -6.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -6.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -5.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -5.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -2.2917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 5 2 0 0 0 0 15 10 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 18 6 1 0 0 0 0 19 17 1 0 0 0 0 20 10 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 13 1 0 0 0 0 24 16 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 23 2 0 0 0 0 28 27 1 0 0 0 0 3 2 1 0 0 0 0 12 8 1 0 0 0 0 25 17 1 0 0 0 0 24 28 2 0 0 0 0 M END > (P7014211410) P7014211410 > (P7014211410) 2 > (P7014211410) 5 > (P7014211410) 4 > (P7014211410) 3.000000000000000e+000 > (P7014211410) 4 > (P7014211410) 8.110000000000001e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 5.5875 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -5.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8917 -4.7125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2875 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -5.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -5.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -2.3042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -2.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 15 2 0 0 0 0 13 10 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 16 9 1 0 0 0 0 17 9 2 0 0 0 0 18 11 1 0 0 0 0 19 5 2 0 0 0 0 20 18 2 0 0 0 0 21 14 1 0 0 0 0 22 12 1 0 0 0 0 23 15 1 0 0 0 0 24 6 1 0 0 0 0 25 20 1 0 0 0 0 26 18 1 0 0 0 0 27 20 1 0 0 0 0 28 23 1 0 0 0 0 29 25 1 0 0 0 0 30 26 2 0 0 0 0 31 30 1 0 0 0 0 3 2 1 0 0 0 0 12 14 1 0 0 0 0 13 8 1 0 0 0 0 27 31 2 0 0 0 0 M END > (P7014211422) P7014211422 > (P7014211422) 3 > (P7014211422) 7 > (P7014211422) 5 > (P7014211422) 2.800000000000000e+000 > (P7014211422) 4 > (P7014211422) 1.105000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 5.5875 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -5.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2875 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -4.7125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8875 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -5.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -5.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 4 2 0 0 0 0 14 6 1 0 0 0 0 15 21 1 0 0 0 0 16 12 2 0 0 0 0 17 5 1 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 22 14 2 0 0 0 0 23 14 1 0 0 0 0 24 16 1 0 0 0 0 25 18 1 0 0 0 0 26 19 2 0 0 0 0 27 26 1 0 0 0 0 7 2 1 0 0 0 0 15 20 2 0 0 0 0 8 11 1 0 0 0 0 27 24 2 0 0 0 0 M END > (P7014211423) P7014211423 > (P7014211423) 2 > (P7014211423) 6 > (P7014211423) 4 > (P7014211423) 1.100000000000000e+000 > (P7014211423) 4 > (P7014211423) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 4.1042 -5.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1000 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3125 -6.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -5.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.9042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 6 2 0 0 0 0 15 11 1 0 0 0 0 16 13 2 0 0 0 0 17 7 1 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 16 1 0 0 0 0 21 13 1 0 0 0 0 22 15 2 0 0 0 0 23 16 1 0 0 0 0 24 20 1 0 0 0 0 25 19 1 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 28 25 2 0 0 0 0 10 5 1 0 0 0 0 8 7 1 0 0 0 0 22 28 1 0 0 0 0 23 27 2 0 0 0 0 M END > (P7014211463) P7014211463 > (P7014211463) 2 > (P7014211463) 6 > (P7014211463) 4 > (P7014211463) 1.800000000000000e+000 > (P7014211463) 4 > (P7014211463) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 4.1042 -5.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1000 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3125 -6.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -5.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -2.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 6 2 0 0 0 0 15 11 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 11 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 13 1 0 0 0 0 24 16 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 23 2 0 0 0 0 28 27 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 25 17 1 0 0 0 0 28 24 2 0 0 0 0 M END > (P7014211464) P7014211464 > (P7014211464) 2 > (P7014211464) 6 > (P7014211464) 4 > (P7014211464) 1.800000000000000e+000 > (P7014211464) 4 > (P7014211464) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 4.1042 -5.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1000 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3125 -6.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -2.2542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1042 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -5.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6750 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 6 1 0 0 0 0 16 15 1 0 0 0 0 17 23 2 0 0 0 0 18 11 1 0 0 0 0 19 11 2 0 0 0 0 20 6 2 0 0 0 0 21 13 2 0 0 0 0 22 16 2 0 0 0 0 23 21 1 0 0 0 0 24 7 1 0 0 0 0 25 17 1 0 0 0 0 26 22 1 0 0 0 0 27 16 1 0 0 0 0 28 22 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 27 2 0 0 0 0 32 31 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 17 12 1 0 0 0 0 32 28 2 0 0 0 0 M CHG 2 11 1 18 -1 M END > (P7014211472) P7014211472 > (P7014211472) 2 > (P7014211472) 9 > (P7014211472) 6 > (P7014211472) 1.500000000000000e+000 > (P7014211472) 4 > (P7014211472) 1.490000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 4.1042 -5.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1000 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3125 -6.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -5.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8250 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 11 1 0 0 0 0 14 6 2 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 17 13 2 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 7 1 0 0 0 0 23 17 1 0 0 0 0 24 13 1 0 0 0 0 25 15 1 0 0 0 0 26 15 1 0 0 0 0 27 15 1 0 0 0 0 28 17 1 0 0 0 0 29 23 1 0 0 0 0 30 24 2 0 0 0 0 31 30 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 16 21 2 0 0 0 0 31 28 2 0 0 0 0 M END > (P7014211486) P7014211486 > (P7014211486) 2 > (P7014211486) 6 > (P7014211486) 5 > (P7014211486) 3.000000000000000e+000 > (P7014211486) 4 > (P7014211486) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 4.1042 -5.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1000 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3125 -6.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -5.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 6 2 0 0 0 0 15 11 1 0 0 0 0 16 13 2 0 0 0 0 17 7 1 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 16 1 0 0 0 0 21 13 1 0 0 0 0 22 15 2 0 0 0 0 23 16 1 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 26 19 1 0 0 0 0 27 24 1 0 0 0 0 28 21 2 0 0 0 0 29 28 1 0 0 0 0 30 26 2 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 30 22 1 0 0 0 0 29 23 2 0 0 0 0 M END > (P7014211489) P7014211489 > (P7014211489) 2 > (P7014211489) 7 > (P7014211489) 6 > (P7014211489) 2.000000000000000e+000 > (P7014211489) 4 > (P7014211489) 1.032000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 0.2167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5792 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -2.8667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 5 1 0 0 0 0 15 2 2 0 0 0 0 16 11 1 0 0 0 0 17 11 2 0 0 0 0 18 10 2 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 16 2 0 0 0 0 22 17 1 0 0 0 0 23 25 1 0 0 0 0 24 22 2 0 0 0 0 25 20 2 0 0 0 0 26 19 1 0 0 0 0 27 23 1 0 0 0 0 28 16 1 0 0 0 0 29 22 1 0 0 0 0 30 27 1 0 0 0 0 31 30 1 0 0 0 0 8 9 1 0 0 0 0 3 7 1 0 0 0 0 26 23 2 0 0 0 0 21 24 1 0 0 0 0 M END > (P7014750980) P7014750980 > (P7014750980) 1 > (P7014750980) 4 > (P7014750980) 6 > (P7014750980) 4.200000000000000e+000 > (P7014750980) 4 > (P7014750980) 9.920000000000000e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 -0.1708 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -1.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8500 -0.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5250 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -1.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 3.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9375 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 10 2 0 0 0 0 13 9 1 0 0 0 0 14 20 2 0 0 0 0 15 13 2 0 0 0 0 16 11 1 0 0 0 0 17 5 2 0 0 0 0 18 14 1 0 0 0 0 19 9 2 0 0 0 0 20 19 1 0 0 0 0 21 16 2 0 0 0 0 22 6 1 0 0 0 0 23 15 1 0 0 0 0 24 21 1 0 0 0 0 25 18 1 0 0 0 0 26 16 1 0 0 0 0 27 21 1 0 0 0 0 28 23 1 0 0 0 0 29 24 1 0 0 0 0 30 25 1 0 0 0 0 31 25 1 0 0 0 0 32 26 2 0 0 0 0 33 32 1 0 0 0 0 3 2 1 0 0 0 0 15 14 1 0 0 0 0 8 12 1 0 0 0 0 27 33 2 0 0 0 0 M END > (P7014790033) P7014790033 > (P7014790033) 2 > (P7014790033) 7 > (P7014790033) 7 > (P7014790033) 3.000000000000000e+000 > (P7014790033) 4 > (P7014790033) 9.950000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 5.5875 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9042 -4.7125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2792 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -6.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -6.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -5.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -5.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -5.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 5 2 0 0 0 0 16 14 1 0 0 0 0 17 13 2 0 0 0 0 18 6 1 0 0 0 0 19 16 1 0 0 0 0 20 10 2 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 23 13 1 0 0 0 0 24 14 2 0 0 0 0 25 17 1 0 0 0 0 26 21 1 0 0 0 0 27 22 2 0 0 0 0 28 22 1 0 0 0 0 29 20 1 0 0 0 0 30 23 2 0 0 0 0 31 30 1 0 0 0 0 32 29 2 0 0 0 0 33 28 2 0 0 0 0 34 27 1 0 0 0 0 35 33 1 0 0 0 0 3 2 1 0 0 0 0 12 8 1 0 0 0 0 24 32 1 0 0 0 0 25 31 2 0 0 0 0 34 35 2 0 0 0 0 M END > (P7014790038) P7014790038 > (P7014790038) 2 > (P7014790038) 6 > (P7014790038) 7 > (P7014790038) 3.800000000000000e+000 > (P7014790038) 5 > (P7014790038) 9.030000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 1.0042 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 2.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 3.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1292 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 2.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 10 2 0 0 0 0 14 11 2 0 0 0 0 15 7 2 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 5 1 0 0 0 0 19 13 1 0 0 0 0 20 15 1 0 0 0 0 21 20 2 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 19 1 0 0 0 0 25 22 1 0 0 0 0 12 9 2 0 0 0 0 4 2 1 0 0 0 0 13 21 1 0 0 0 0 M END > (P7015052257) P7015052257 > (P7015052257) 1 > (P7015052257) 7 > (P7015052257) 6 > (P7015052257) 1.700000000000000e+000 > (P7015052257) 3 > (P7015052257) 8.750000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 4.7542 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3875 -1.8125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0125 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -3.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -3.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 0.3833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 12 1 0 0 0 0 15 10 2 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 10 1 0 0 0 0 19 5 1 0 0 0 0 20 14 1 0 0 0 0 21 17 2 0 0 0 0 22 17 1 0 0 0 0 23 20 1 0 0 0 0 24 18 1 0 0 0 0 25 23 1 0 0 0 0 26 23 2 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 26 1 0 0 0 0 30 29 2 0 0 0 0 9 11 2 0 0 0 0 2 4 1 0 0 0 0 16 21 1 0 0 0 0 30 28 1 0 0 0 0 M END > (P7015052269) P7015052269 > (P7015052269) 1 > (P7015052269) 6 > (P7015052269) 7 > (P7015052269) 4.000000000000000e+000 > (P7015052269) 4 > (P7015052269) 7.830000000000000e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 2.5167 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8917 -1.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5167 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -2.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.9500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0333 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 6 2 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 5 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 3 2 1 0 0 0 0 11 9 1 0 0 0 0 16 19 1 0 0 0 0 M END > (P7015052291) P7015052291 > (P7015052291) 1 > (P7015052291) 6 > (P7015052291) 6 > (P7015052291) 3.200000000000000e+000 > (P7015052291) 3 > (P7015052291) 7.830000000000000e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 1.8625 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1125 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -1.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1125 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 0.9500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 11 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 5 1 0 0 0 0 18 16 2 0 0 0 0 19 16 1 0 0 0 0 20 12 1 0 0 0 0 21 11 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 10 9 2 0 0 0 0 4 3 1 0 0 0 0 15 18 1 0 0 0 0 M END > (P7015052292) P7015052292 > (P7015052292) 1 > (P7015052292) 5 > (P7015052292) 4 > (P7015052292) 2.300000000000000e+000 > (P7015052292) 3 > (P7015052292) 6.900000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 2.2042 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5792 -1.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2042 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -2.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -2.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -1.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -1.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.9500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 6 2 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 5 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 13 1 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 18 2 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 24 2 0 0 0 0 29 27 2 0 0 0 0 3 2 1 0 0 0 0 11 9 1 0 0 0 0 16 20 1 0 0 0 0 29 28 1 0 0 0 0 M END > (P7015052293) P7015052293 > (P7015052293) 2 > (P7015052293) 5 > (P7015052293) 5 > (P7015052293) 3.400000000000000e+000 > (P7015052293) 4 > (P7015052293) 8.110000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 1.5792 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2042 -1.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8292 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -2.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 12 2 0 0 0 0 17 9 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 19 2 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 23 14 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 11 8 2 0 0 0 0 2 4 1 0 0 0 0 16 20 1 0 0 0 0 M END > (P7015052300) P7015052300 > (P7015052300) 1 > (P7015052300) 6 > (P7015052300) 7 > (P7015052300) 2.700000000000000e+000 > (P7015052300) 3 > (P7015052300) 7.830000000000000e+001 $$$$ -ISIS- 08092202382D 18 18 0 0 0 0 0 0 0 0999 V2000 3.6417 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 2.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 3.3583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5792 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 5 8 2 0 0 0 0 M END > (P7015592565) P7015592565 > (P7015592565) 1 > (P7015592565) 3 > (P7015592565) 6 > (P7015592565) 2.900000000000000e+000 > (P7015592565) 1 > (P7015592565) 8.360000000000002e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 2.1167 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0958 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1625 2.9625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 8 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 8 1 0 0 0 0 17 4 1 0 0 0 0 18 15 1 0 0 0 0 19 6 1 0 0 0 0 20 21 1 0 0 0 0 21 12 2 0 0 0 0 22 9 1 0 0 0 0 23 20 2 0 0 0 0 24 16 1 0 0 0 0 6 4 2 0 0 0 0 23 15 1 0 0 0 0 M END > (P7015592675) P7015592675 > (P7015592675) 1 > (P7015592675) 4 > (P7015592675) 6 > (P7015592675) 4.000000000000000e+000 > (P7015592675) 2 > (P7015592675) 9.290000000000001e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 10.4667 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 1.9083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.8792 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8042 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8417 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.3375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0167 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9667 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -0.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.2417 3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 8 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 8 1 0 0 0 0 17 4 1 0 0 0 0 18 15 1 0 0 0 0 19 6 1 0 0 0 0 20 21 1 0 0 0 0 21 12 2 0 0 0 0 22 9 1 0 0 0 0 23 20 2 0 0 0 0 24 16 1 0 0 0 0 25 24 1 0 0 0 0 6 4 2 0 0 0 0 23 15 1 0 0 0 0 M END > (P7015592690) P7015592690 > (P7015592690) 1 > (P7015592690) 4 > (P7015592690) 7 > (P7015592690) 4.300000000000000e+000 > (P7015592690) 2 > (P7015592690) 9.290000000000001e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 4.5417 3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 2.5083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8917 2.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2417 3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 3.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 3.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 2.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 9 2 0 0 0 0 18 12 2 0 0 0 0 19 16 1 0 0 0 0 20 14 1 0 0 0 0 21 19 1 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 8 11 2 0 0 0 0 2 4 1 0 0 0 0 24 18 1 0 0 0 0 M END > (P7016381068) P7016381068 > (P7016381068) 1 > (P7016381068) 6 > (P7016381068) 6 > (P7016381068) 2.200000000000000e+000 > (P7016381068) 3 > (P7016381068) 7.830000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 0.5000 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6375 -0.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7792 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -3.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -2.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 9 2 0 0 0 0 18 12 2 0 0 0 0 19 16 1 0 0 0 0 20 14 1 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 11 8 2 0 0 0 0 4 2 1 0 0 0 0 25 18 1 0 0 0 0 M END > (P7016381081) P7016381081 > (P7016381081) 1 > (P7016381081) 6 > (P7016381081) 7 > (P7016381081) 2.700000000000000e+000 > (P7016381081) 3 > (P7016381081) 7.830000000000000e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.5000 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6375 -0.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7792 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -3.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -2.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 9 2 0 0 0 0 18 12 2 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 8 11 2 0 0 0 0 2 4 1 0 0 0 0 18 24 1 0 0 0 0 M END > (P7016381086) P7016381086 > (P7016381086) 2 > (P7016381086) 5 > (P7016381086) 6 > (P7016381086) 1.800000000000000e+000 > (P7016381086) 3 > (P7016381086) 9.510000000000002e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 2.7917 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4917 -1.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2167 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 9 2 0 0 0 0 19 17 1 0 0 0 0 20 12 2 0 0 0 0 21 19 2 0 0 0 0 22 19 1 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 11 8 2 0 0 0 0 2 4 1 0 0 0 0 20 24 1 0 0 0 0 27 26 2 0 0 0 0 M END > (P7016381097) P7016381097 > (P7016381097) 2 > (P7016381097) 5 > (P7016381097) 5 > (P7016381097) 2.100000000000000e+000 > (P7016381097) 4 > (P7016381097) 9.510000000000002e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 3.5042 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2042 -1.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -3.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 5 1 0 0 0 0 18 16 1 0 0 0 0 19 23 2 0 0 0 0 20 9 2 0 0 0 0 21 18 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 24 21 2 0 0 0 0 25 12 2 0 0 0 0 26 19 1 0 0 0 0 27 20 1 0 0 0 0 28 27 2 0 0 0 0 8 11 2 0 0 0 0 4 2 1 0 0 0 0 28 25 1 0 0 0 0 19 24 1 0 0 0 0 M END > (P7016381160) P7016381160 > (P7016381160) 2 > (P7016381160) 5 > (P7016381160) 5 > (P7016381160) 2.600000000000000e+000 > (P7016381160) 4 > (P7016381160) 9.510000000000002e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 3.8042 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0917 -1.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8167 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -3.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -1.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 0.9458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -1.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9417 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 6 2 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 5 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 21 1 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 2 3 1 0 0 0 0 9 11 1 0 0 0 0 19 16 1 0 0 0 0 M END > (P7016381196) P7016381196 > (P7016381196) 1 > (P7016381196) 6 > (P7016381196) 7 > (P7016381196) 3.700000000000000e+000 > (P7016381196) 3 > (P7016381196) 7.830000000000000e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 3.1542 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -2.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8542 -1.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 0.7708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 10 2 0 0 0 0 15 12 2 0 0 0 0 16 10 1 0 0 0 0 17 13 1 0 0 0 0 18 5 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 11 9 2 0 0 0 0 4 2 1 0 0 0 0 15 19 1 0 0 0 0 M END > (P7016381199) P7016381199 > (P7016381199) 2 > (P7016381199) 5 > (P7016381199) 5 > (P7016381199) 2.100000000000000e+000 > (P7016381199) 3 > (P7016381199) 9.510000000000002e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 4.1292 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4167 -1.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1417 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -3.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 0.4958 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -1.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 6 2 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 5 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 2 3 1 0 0 0 0 9 11 1 0 0 0 0 19 16 1 0 0 0 0 M END > (P7016381209) P7016381209 > (P7016381209) 1 > (P7016381209) 6 > (P7016381209) 8 > (P7016381209) 4.200000000000000e+000 > (P7016381209) 3 > (P7016381209) 7.830000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 3.5042 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2042 -1.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -3.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 0.5708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 12 1 0 0 0 0 15 10 2 0 0 0 0 16 12 2 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 19 5 1 0 0 0 0 20 14 1 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 24 23 1 0 0 0 0 25 23 2 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 28 26 2 0 0 0 0 9 11 2 0 0 0 0 4 2 1 0 0 0 0 21 16 1 0 0 0 0 28 27 1 0 0 0 0 M END > (P7016381221) P7016381221 > (P7016381221) 2 > (P7016381221) 5 > (P7016381221) 5 > (P7016381221) 2.800000000000000e+000 > (P7016381221) 4 > (P7016381221) 9.510000000000002e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -2.6083 -15.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5958 -15.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -15.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -14.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3833 -16.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -15.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -16.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -14.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -13.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -15.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -15.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -13.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -13.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -16.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -16.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -13.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -16.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -12.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -15.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -17.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -13.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -12.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -17.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -17.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -12.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 6 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 17 7 1 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 13 2 0 0 0 0 21 15 2 0 0 0 0 22 16 1 0 0 0 0 23 16 2 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 24 1 0 0 0 0 27 20 1 0 0 0 0 28 27 2 0 0 0 0 29 25 2 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 21 29 1 0 0 0 0 23 28 1 0 0 0 0 M END > (P7016382493) P7016382493 > (P7016382493) 2 > (P7016382493) 6 > (P7016382493) 5 > (P7016382493) 2.500000000000000e+000 > (P7016382493) 4 > (P7016382493) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 -2.0375 -15.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.0250 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -15.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -14.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8125 -16.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -16.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -15.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -15.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -14.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -13.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -14.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -15.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -16.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -14.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -13.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -15.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -13.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -14.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -14.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -13.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 -13.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -12.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 6 1 0 0 0 0 16 12 1 0 0 0 0 17 10 2 0 0 0 0 18 12 2 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 17 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 2 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 18 26 1 0 0 0 0 M END > (P7016382501) P7016382501 > (P7016382501) 1 > (P7016382501) 7 > (P7016382501) 8 > (P7016382501) 2.400000000000000e+000 > (P7016382501) 3 > (P7016382501) 9.119999999999999e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 5.6292 -6.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6292 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -6.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 -7.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -8.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -6.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -7.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -5.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -6.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 6 1 0 0 0 0 16 12 1 0 0 0 0 17 10 2 0 0 0 0 18 12 2 0 0 0 0 19 16 1 0 0 0 0 20 14 1 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 5 9 1 0 0 0 0 7 6 1 0 0 0 0 25 18 1 0 0 0 0 M END > (P7016382511) P7016382511 > (P7016382511) 1 > (P7016382511) 7 > (P7016382511) 7 > (P7016382511) 2.000000000000000e+000 > (P7016382511) 3 > (P7016382511) 9.119999999999999e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.9458 -15.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.9333 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -15.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -14.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7208 -16.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -16.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -15.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -14.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -15.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -15.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -13.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -13.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -14.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -16.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -12.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -12.7042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 -14.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -15.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3833 -13.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -15.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -14.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 10 5 1 0 0 0 0 6 7 1 0 0 0 0 16 19 1 0 0 0 0 M END > (P7016382614) P7016382614 > (P7016382614) 1 > (P7016382614) 7 > (P7016382614) 5 > (P7016382614) 2.200000000000000e+000 > (P7016382614) 3 > (P7016382614) 9.119999999999999e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 -2.9375 -15.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.9250 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -15.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -14.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7125 -16.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -16.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -15.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -14.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -15.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -15.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -13.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -13.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -14.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -16.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -12.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -12.7042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -14.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -15.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3750 -13.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -15.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -14.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 19 16 1 0 0 0 0 M END > (P7016382627) P7016382627 > (P7016382627) 1 > (P7016382627) 7 > (P7016382627) 6 > (P7016382627) 2.500000000000000e+000 > (P7016382627) 3 > (P7016382627) 9.119999999999999e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2833 -15.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2833 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -15.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -15.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0708 -16.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -16.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -15.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 -15.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -14.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -15.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -13.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -14.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -13.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -13.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -15.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -16.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -12.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -12.4292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 -14.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -13.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -15.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -13.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 -12.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 11 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 18 6 1 0 0 0 0 19 16 2 0 0 0 0 20 16 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 5 9 1 0 0 0 0 7 6 1 0 0 0 0 15 19 1 0 0 0 0 M END > (P7016382638) P7016382638 > (P7016382638) 1 > (P7016382638) 7 > (P7016382638) 6 > (P7016382638) 2.300000000000000e+000 > (P7016382638) 3 > (P7016382638) 9.119999999999999e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 -2.0333 -15.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.0250 -16.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -15.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -14.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8125 -16.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -16.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -16.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -15.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -15.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -14.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -14.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -13.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -13.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -15.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -16.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -12.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -12.5167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -14.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -15.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -13.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -14.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -14.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 -13.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 11 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 18 6 1 0 0 0 0 19 16 2 0 0 0 0 20 16 1 0 0 0 0 21 12 1 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 5 9 1 0 0 0 0 7 6 1 0 0 0 0 15 19 1 0 0 0 0 M END > (P7016382639) P7016382639 > (P7016382639) 1 > (P7016382639) 7 > (P7016382639) 7 > (P7016382639) 2.700000000000000e+000 > (P7016382639) 3 > (P7016382639) 9.119999999999999e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -2.2583 -15.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2458 -15.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -15.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -14.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0333 -16.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -14.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -15.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -16.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -14.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -15.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -15.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -15.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -13.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -13.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -13.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -16.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -12.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -12.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -16.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -12.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -12.1792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -13.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -16.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -15.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -17.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 -13.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 -13.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -17.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 -13.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -17.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 11 2 0 0 0 0 16 6 2 0 0 0 0 17 13 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 7 1 0 0 0 0 21 19 2 0 0 0 0 22 19 1 0 0 0 0 23 14 1 0 0 0 0 24 13 2 0 0 0 0 25 17 1 0 0 0 0 26 17 2 0 0 0 0 27 23 1 0 0 0 0 28 27 1 0 0 0 0 29 24 1 0 0 0 0 30 28 1 0 0 0 0 31 29 2 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 18 21 1 0 0 0 0 26 31 1 0 0 0 0 M END > (P7016382645) P7016382645 > (P7016382645) 2 > (P7016382645) 6 > (P7016382645) 6 > (P7016382645) 3.700000000000000e+000 > (P7016382645) 4 > (P7016382645) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -2.6083 -14.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5958 -15.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -14.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -14.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3833 -15.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -14.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -15.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -15.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -14.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -15.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -13.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -14.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -15.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -13.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -13.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -15.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -13.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -16.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -15.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -12.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -12.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -17.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -16.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -11.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -16.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -11.6792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 -13.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -15.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -18.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 -13.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -12.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -11.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 11 2 0 0 0 0 16 13 1 0 0 0 0 17 6 2 0 0 0 0 18 16 2 0 0 0 0 19 13 2 0 0 0 0 20 14 2 0 0 0 0 21 15 1 0 0 0 0 22 25 2 0 0 0 0 23 7 1 0 0 0 0 24 21 2 0 0 0 0 25 19 1 0 0 0 0 26 21 1 0 0 0 0 27 14 1 0 0 0 0 28 16 1 0 0 0 0 29 22 1 0 0 0 0 30 27 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 10 5 1 0 0 0 0 7 8 1 0 0 0 0 20 24 1 0 0 0 0 22 18 1 0 0 0 0 M END > (P7016382646) P7016382646 > (P7016382646) 2 > (P7016382646) 6 > (P7016382646) 6 > (P7016382646) 4.200000000000000e+000 > (P7016382646) 4 > (P7016382646) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 25 29 0 0 0 0 0 0 0 0999 V2000 3.3875 -0.6542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4917 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.7875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 9 1 0 0 0 0 22 20 2 0 0 0 0 23 22 1 0 0 0 0 24 19 2 0 0 0 0 25 21 2 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 17 23 2 0 0 0 0 25 24 1 0 0 0 0 16 15 2 0 0 0 0 M END > (P7016730011) P7016730011 > (P7016730011) 0 > (P7016730011) 3 > (P7016730011) 2 > (P7016730011) 4.300000000000000e+000 > (P7016730011) 5 > (P7016730011) 3.800000000000000e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.3875 -1.4875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -2.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4917 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -3.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 9 1 0 0 0 0 20 12 1 0 0 0 0 21 10 1 0 0 0 0 22 20 2 0 0 0 0 23 14 1 0 0 0 0 24 22 1 0 0 0 0 25 19 2 0 0 0 0 26 21 2 0 0 0 0 7 5 1 0 0 0 0 9 10 2 0 0 0 0 17 24 2 0 0 0 0 26 25 1 0 0 0 0 15 14 2 0 0 0 0 M END > (P7016730016) P7016730016 > (P7016730016) 0 > (P7016730016) 3 > (P7016730016) 2 > (P7016730016) 4.400000000000000e+000 > (P7016730016) 5 > (P7016730016) 3.800000000000000e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 3.3875 -1.4875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -2.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4917 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -3.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 8 1 0 0 0 0 17 12 2 0 0 0 0 18 17 1 0 0 0 0 19 7 1 0 0 0 0 20 18 1 0 0 0 0 21 16 1 0 0 0 0 22 12 1 0 0 0 0 23 19 2 0 0 0 0 24 22 2 0 0 0 0 25 14 1 0 0 0 0 26 16 2 0 0 0 0 27 24 1 0 0 0 0 28 21 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 18 27 2 0 0 0 0 26 23 1 0 0 0 0 15 14 2 0 0 0 0 M END > (P7016730017) P7016730017 > (P7016730017) 0 > (P7016730017) 4 > (P7016730017) 3 > (P7016730017) 4.400000000000000e+000 > (P7016730017) 5 > (P7016730017) 4.720000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 3.3750 -0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -0.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7792 -1.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -2.8917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 21 1 0 0 0 0 17 11 2 0 0 0 0 18 10 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 21 18 2 0 0 0 0 22 13 1 0 0 0 0 23 7 1 0 0 0 0 24 15 1 0 0 0 0 25 16 1 0 0 0 0 26 23 2 0 0 0 0 27 15 2 0 0 0 0 28 25 1 0 0 0 0 29 24 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 13 16 2 0 0 0 0 26 27 1 0 0 0 0 20 19 2 0 0 0 0 M END > (P7016730042) P7016730042 > (P7016730042) 0 > (P7016730042) 5 > (P7016730042) 4 > (P7016730042) 4.800000000000000e+000 > (P7016730042) 5 > (P7016730042) 5.640000000000000e+001 $$$$ -ISIS- 08092202382D 24 28 0 0 0 0 0 0 0 0999 V2000 3.3667 -1.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6542 -1.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7375 -1.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -3.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5542 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 8 1 0 0 0 0 20 18 1 0 0 0 0 21 9 1 0 0 0 0 22 20 1 0 0 0 0 23 19 2 0 0 0 0 24 23 1 0 0 0 0 6 5 1 0 0 0 0 7 9 1 0 0 0 0 17 20 1 0 0 0 0 21 24 2 0 0 0 0 16 15 2 0 0 0 0 M END > (P7016730081) P7016730081 > (P7016730081) 0 > (P7016730081) 3 > (P7016730081) 1 > (P7016730081) 4.000000000000000e+000 > (P7016730081) 5 > (P7016730081) 3.800000000000000e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.3667 -1.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6542 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7375 -0.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 15 1 0 0 0 0 18 7 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 20 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 9 5 1 0 0 0 0 6 8 1 0 0 0 0 19 22 1 0 0 0 0 24 14 2 0 0 0 0 17 16 2 0 0 0 0 M END > (P7016730082) P7016730082 > (P7016730082) 0 > (P7016730082) 4 > (P7016730082) 2 > (P7016730082) 4.000000000000000e+000 > (P7016730082) 5 > (P7016730082) 4.720000000000000e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.3667 -1.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6542 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7375 -0.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4667 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 0.3958 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6500 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 5 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 17 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 10 2 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 11 1 0 0 0 0 22 17 1 0 0 0 0 23 16 1 0 0 0 0 24 15 1 0 0 0 0 25 23 1 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 9 6 1 0 0 0 0 7 8 1 0 0 0 0 24 25 1 0 0 0 0 12 11 2 0 0 0 0 20 19 2 0 0 0 0 M END > (P7016730083) P7016730083 > (P7016730083) 0 > (P7016730083) 4 > (P7016730083) 2 > (P7016730083) 4.800000000000000e+000 > (P7016730083) 5 > (P7016730083) 4.720000000000000e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.7292 -1.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0167 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1000 -0.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9417 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 0.3958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 6 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 19 15 2 0 0 0 0 20 19 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 25 13 1 0 0 0 0 26 24 1 0 0 0 0 7 5 1 0 0 0 0 8 10 1 0 0 0 0 21 24 1 0 0 0 0 20 18 2 0 0 0 0 14 13 2 0 0 0 0 M END > (P7016730088) P7016730088 > (P7016730088) 0 > (P7016730088) 3 > (P7016730088) 1 > (P7016730088) 4.800000000000000e+000 > (P7016730088) 5 > (P7016730088) 3.800000000000000e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.7292 -1.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0167 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1000 -0.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9417 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 0.3958 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 6 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 19 15 2 0 0 0 0 20 19 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 25 13 1 0 0 0 0 26 24 1 0 0 0 0 7 5 1 0 0 0 0 8 10 1 0 0 0 0 21 24 1 0 0 0 0 20 18 2 0 0 0 0 14 13 2 0 0 0 0 M END > (P7016730089) P7016730089 > (P7016730089) 0 > (P7016730089) 3 > (P7016730089) 1 > (P7016730089) 4.900000000000000e+000 > (P7016730089) 5 > (P7016730089) 3.800000000000000e+001 $$$$ -ISIS- 08092202382D 33 38 0 0 0 0 0 0 0 0999 V2000 2.9375 -0.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -0.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4875 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -0.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.7208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7500 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -1.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -2.0042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 1.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 6 1 0 0 0 0 14 3 1 0 0 0 0 15 11 1 0 0 0 0 16 5 2 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 14 2 0 0 0 0 22 9 1 0 0 0 0 23 25 2 0 0 0 0 24 21 1 0 0 0 0 25 20 1 0 0 0 0 26 19 2 0 0 0 0 27 21 1 0 0 0 0 28 17 1 0 0 0 0 29 23 1 0 0 0 0 30 31 1 0 0 0 0 31 17 2 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 8 12 1 0 0 0 0 6 9 1 0 0 0 0 13 11 1 0 0 0 0 18 24 2 0 0 0 0 30 22 2 0 0 0 0 26 23 1 0 0 0 0 M END > (P7016750002) P7016750002 > (P7016750002) 1 > (P7016750002) 6 > (P7016750002) 3 > (P7016750002) 3.800000000000000e+000 > (P7016750002) 6 > (P7016750002) 7.240000000000001e+001 $$$$ -ISIS- 08092202382D 32 37 0 0 0 0 0 0 0 0999 V2000 2.1292 -2.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5250 -1.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9167 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -1.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5500 -3.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -3.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -5.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 2.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 13 2 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 3 1 0 0 0 0 15 10 1 0 0 0 0 16 5 2 0 0 0 0 17 8 1 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 14 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 25 19 2 0 0 0 0 26 22 1 0 0 0 0 27 21 2 0 0 0 0 28 20 1 0 0 0 0 29 23 1 0 0 0 0 30 22 1 0 0 0 0 31 24 1 0 0 0 0 32 31 1 0 0 0 0 9 11 1 0 0 0 0 6 8 1 0 0 0 0 12 10 1 0 0 0 0 18 26 2 0 0 0 0 23 17 2 0 0 0 0 28 24 2 0 0 0 0 M END > (P7016750018) P7016750018 > (P7016750018) 1 > (P7016750018) 5 > (P7016750018) 2 > (P7016750018) 5.000000000000000e+000 > (P7016750018) 6 > (P7016750018) 6.320000000000000e+001 $$$$ -ISIS- 08092202382D 29 34 0 0 0 0 0 0 0 0999 V2000 2.6042 -2.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -3.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.3250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 3 2 0 0 0 0 11 6 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 14 3 1 0 0 0 0 15 5 2 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 14 2 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 12 1 0 0 0 0 22 13 1 0 0 0 0 23 16 1 0 0 0 0 24 16 2 0 0 0 0 25 26 1 0 0 0 0 26 22 2 0 0 0 0 27 24 1 0 0 0 0 28 23 2 0 0 0 0 29 27 2 0 0 0 0 10 8 1 0 0 0 0 12 6 1 0 0 0 0 9 11 1 0 0 0 0 19 17 2 0 0 0 0 21 25 2 0 0 0 0 29 28 1 0 0 0 0 M END > (P7016750042) P7016750042 > (P7016750042) 1 > (P7016750042) 4 > (P7016750042) 1 > (P7016750042) 4.400000000000000e+000 > (P7016750042) 6 > (P7016750042) 5.390000000000000e+001 $$$$ -ISIS- 08092202382D 31 36 0 0 0 0 0 0 0 0999 V2000 2.6042 -3.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -2.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -3.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.9292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 3 2 0 0 0 0 11 6 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 14 3 1 0 0 0 0 15 9 1 0 0 0 0 16 5 2 0 0 0 0 17 10 1 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 20 14 2 0 0 0 0 21 23 1 0 0 0 0 22 20 1 0 0 0 0 23 19 2 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 26 12 1 0 0 0 0 27 13 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 31 1 0 0 0 0 31 27 2 0 0 0 0 10 8 1 0 0 0 0 12 6 1 0 0 0 0 9 11 1 0 0 0 0 22 17 2 0 0 0 0 26 30 2 0 0 0 0 21 24 2 0 0 0 0 M END > (P7016750044) P7016750044 > (P7016750044) 1 > (P7016750044) 5 > (P7016750044) 2 > (P7016750044) 4.400000000000000e+000 > (P7016750044) 6 > (P7016750044) 6.320000000000000e+001 $$$$ -ISIS- 08092202382D 28 33 0 0 0 0 0 0 0 0999 V2000 2.6042 -2.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -1.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.1375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 3 2 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 3 1 0 0 0 0 16 5 2 0 0 0 0 17 14 1 0 0 0 0 18 14 2 0 0 0 0 19 11 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 15 2 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 25 12 1 0 0 0 0 26 13 1 0 0 0 0 27 28 1 0 0 0 0 28 26 2 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 8 10 1 0 0 0 0 23 19 2 0 0 0 0 25 27 2 0 0 0 0 20 21 2 0 0 0 0 M END > (P7016750049) P7016750049 > (P7016750049) 1 > (P7016750049) 4 > (P7016750049) 1 > (P7016750049) 3.800000000000000e+000 > (P7016750049) 6 > (P7016750049) 6.709999999999999e+001 $$$$ -ISIS- 08092202382D 29 34 0 0 0 0 0 0 0 0999 V2000 2.6042 -2.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -1.8292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.4542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 3 2 0 0 0 0 13 14 2 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 3 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 5 2 0 0 0 0 21 12 1 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 25 13 1 0 0 0 0 26 14 1 0 0 0 0 27 18 1 0 0 0 0 28 29 1 0 0 0 0 29 26 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 8 10 1 0 0 0 0 23 21 2 0 0 0 0 25 28 2 0 0 0 0 18 19 2 0 0 0 0 M END > (P7016750051) P7016750051 > (P7016750051) 1 > (P7016750051) 4 > (P7016750051) 1 > (P7016750051) 4.000000000000000e+000 > (P7016750051) 6 > (P7016750051) 6.709999999999999e+001 $$$$ -ISIS- 08092202382D 31 36 0 0 0 0 0 0 0 0999 V2000 2.6042 -2.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -1.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -3.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.3167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 6 1 0 0 0 0 14 3 1 0 0 0 0 15 5 2 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 14 2 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 23 16 1 0 0 0 0 24 25 1 0 0 0 0 25 16 2 0 0 0 0 26 17 2 0 0 0 0 27 17 1 0 0 0 0 28 23 1 0 0 0 0 29 27 2 0 0 0 0 30 26 1 0 0 0 0 31 29 1 0 0 0 0 12 8 1 0 0 0 0 9 6 1 0 0 0 0 11 13 1 0 0 0 0 21 18 2 0 0 0 0 20 24 2 0 0 0 0 31 30 2 0 0 0 0 M END > (P7016750075) P7016750075 > (P7016750075) 1 > (P7016750075) 5 > (P7016750075) 2 > (P7016750075) 4.400000000000000e+000 > (P7016750075) 6 > (P7016750075) 6.320000000000000e+001 $$$$ -ISIS- 08092202382D 32 37 0 0 0 0 0 0 0 0999 V2000 2.6042 -2.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -2.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 2.4458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -4.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 6 1 0 0 0 0 14 3 1 0 0 0 0 15 11 1 0 0 0 0 16 5 2 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 14 2 0 0 0 0 22 9 1 0 0 0 0 23 25 1 0 0 0 0 24 21 1 0 0 0 0 25 20 2 0 0 0 0 26 19 1 0 0 0 0 27 21 1 0 0 0 0 28 23 1 0 0 0 0 29 17 1 0 0 0 0 30 31 1 0 0 0 0 31 17 2 0 0 0 0 32 29 1 0 0 0 0 12 8 1 0 0 0 0 9 6 1 0 0 0 0 11 13 1 0 0 0 0 24 18 2 0 0 0 0 22 30 2 0 0 0 0 23 26 2 0 0 0 0 M END > (P7016750079) P7016750079 > (P7016750079) 1 > (P7016750079) 5 > (P7016750079) 2 > (P7016750079) 4.600000000000000e+000 > (P7016750079) 6 > (P7016750079) 6.320000000000000e+001 $$$$ -ISIS- 08092202382D 30 35 0 0 0 0 0 0 0 0999 V2000 2.6042 -2.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -3.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 3 2 0 0 0 0 11 6 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 14 3 1 0 0 0 0 15 5 2 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 14 2 0 0 0 0 19 18 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 16 1 0 0 0 0 23 16 2 0 0 0 0 24 18 1 0 0 0 0 25 26 1 0 0 0 0 26 21 2 0 0 0 0 27 24 1 0 0 0 0 28 23 1 0 0 0 0 29 22 2 0 0 0 0 30 28 2 0 0 0 0 10 8 1 0 0 0 0 6 12 1 0 0 0 0 9 11 1 0 0 0 0 19 17 2 0 0 0 0 25 20 2 0 0 0 0 30 29 1 0 0 0 0 M END > (P7016750082) P7016750082 > (P7016750082) 1 > (P7016750082) 4 > (P7016750082) 2 > (P7016750082) 4.600000000000000e+000 > (P7016750082) 6 > (P7016750082) 5.390000000000000e+001 $$$$ -ISIS- 08092202382D 32 37 0 0 0 0 0 0 0 0999 V2000 2.6042 -2.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -1.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -3.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 6 1 0 0 0 0 14 3 1 0 0 0 0 15 5 2 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 14 2 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 22 16 1 0 0 0 0 23 24 1 0 0 0 0 24 16 2 0 0 0 0 25 17 2 0 0 0 0 26 17 1 0 0 0 0 27 19 1 0 0 0 0 28 22 1 0 0 0 0 29 27 1 0 0 0 0 30 26 2 0 0 0 0 31 25 1 0 0 0 0 32 30 1 0 0 0 0 12 8 1 0 0 0 0 6 9 1 0 0 0 0 11 13 1 0 0 0 0 21 18 2 0 0 0 0 23 20 2 0 0 0 0 32 31 2 0 0 0 0 M END > (P7016750115) P7016750115 > (P7016750115) 1 > (P7016750115) 5 > (P7016750115) 3 > (P7016750115) 4.600000000000000e+000 > (P7016750115) 6 > (P7016750115) 6.320000000000000e+001 $$$$ -ISIS- 08092202382D 25 29 0 0 0 0 0 0 0 0999 V2000 1.4625 0.8958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8667 0.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6542 1.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 1.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5667 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1500 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 16 2 0 0 0 0 22 21 1 0 0 0 0 23 19 2 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 7 5 1 0 0 0 0 6 9 1 0 0 0 0 14 12 1 0 0 0 0 22 17 2 0 0 0 0 23 25 1 0 0 0 0 M END > (P7016760001) P7016760001 > (P7016760001) 0 > (P7016760001) 4 > (P7016760001) 1 > (P7016760001) 3.500000000000000e+000 > (P7016760001) 5 > (P7016760001) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 2.5250 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 0.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7167 1.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 12 1 0 0 0 0 24 20 1 0 0 0 0 25 21 2 0 0 0 0 26 25 1 0 0 0 0 7 5 1 0 0 0 0 6 9 1 0 0 0 0 14 12 1 0 0 0 0 26 22 2 0 0 0 0 20 18 2 0 0 0 0 M END > (P7016760002) P7016760002 > (P7016760002) 0 > (P7016760002) 4 > (P7016760002) 1 > (P7016760002) 4.000000000000000e+000 > (P7016760002) 5 > (P7016760002) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 20 1 0 0 0 0 19 16 1 0 0 0 0 20 17 2 0 0 0 0 21 8 1 0 0 0 0 22 18 1 0 0 0 0 23 9 1 0 0 0 0 24 12 1 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 7 5 1 0 0 0 0 6 9 1 0 0 0 0 14 12 1 0 0 0 0 27 23 2 0 0 0 0 18 19 2 0 0 0 0 M END > (P7016760003) P7016760003 > (P7016760003) 0 > (P7016760003) 5 > (P7016760003) 2 > (P7016760003) 3.500000000000000e+000 > (P7016760003) 5 > (P7016760003) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 24 28 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0750 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 18 1 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 13 1 0 0 0 0 23 20 2 0 0 0 0 24 23 1 0 0 0 0 6 5 1 0 0 0 0 7 9 1 0 0 0 0 17 13 1 0 0 0 0 21 24 2 0 0 0 0 19 16 2 0 0 0 0 M END > (P7016760008) P7016760008 > (P7016760008) 0 > (P7016760008) 4 > (P7016760008) 1 > (P7016760008) 2.900000000000000e+000 > (P7016760008) 5 > (P7016760008) 4.119999999999999e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 0.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 12 1 0 0 0 0 22 14 2 0 0 0 0 23 14 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 25 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 19 15 2 0 0 0 0 26 24 2 0 0 0 0 M END > (P7016760011) P7016760011 > (P7016760011) 0 > (P7016760011) 4 > (P7016760011) 1 > (P7016760011) 4.200000000000000e+000 > (P7016760011) 5 > (P7016760011) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 0.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 20 1 0 0 0 0 22 18 1 0 0 0 0 23 19 2 0 0 0 0 24 23 1 0 0 0 0 25 20 1 0 0 0 0 26 12 1 0 0 0 0 27 24 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 21 15 2 0 0 0 0 24 22 2 0 0 0 0 M END > (P7016760012) P7016760012 > (P7016760012) 0 > (P7016760012) 4 > (P7016760012) 1 > (P7016760012) 4.700000000000000e+000 > (P7016760012) 5 > (P7016760012) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 24 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 12 1 0 0 0 0 28 26 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 22 15 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P7016760013) P7016760013 > (P7016760013) 0 > (P7016760013) 5 > (P7016760013) 2 > (P7016760013) 4.200000000000000e+000 > (P7016760013) 5 > (P7016760013) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 17 1 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 9 1 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 14 2 0 0 0 0 20 15 2 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 13 1 0 0 0 0 25 12 2 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 23 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 18 13 1 0 0 0 0 21 16 2 0 0 0 0 20 27 1 0 0 0 0 M END > (P7016760014) P7016760014 > (P7016760014) 0 > (P7016760014) 5 > (P7016760014) 2 > (P7016760014) 4.200000000000000e+000 > (P7016760014) 5 > (P7016760014) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 24 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 12 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 22 15 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P7016760015) P7016760015 > (P7016760015) 0 > (P7016760015) 4 > (P7016760015) 1 > (P7016760015) 4.900000000000000e+000 > (P7016760015) 5 > (P7016760015) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 24 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 12 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 22 15 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P7016760016) P7016760016 > (P7016760016) 0 > (P7016760016) 4 > (P7016760016) 1 > (P7016760016) 5.000000000000000e+000 > (P7016760016) 5 > (P7016760016) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 24 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 12 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 22 15 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P7016760017) P7016760017 > (P7016760017) 0 > (P7016760017) 4 > (P7016760017) 1 > (P7016760017) 4.400000000000000e+000 > (P7016760017) 5 > (P7016760017) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 25 29 0 0 0 0 0 0 0 0999 V2000 3.3750 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7875 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -3.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 0.6625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 20 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 10 2 0 0 0 0 17 14 1 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 16 1 0 0 0 0 22 15 2 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 25 13 1 0 0 0 0 8 5 1 0 0 0 0 7 9 1 0 0 0 0 19 13 1 0 0 0 0 18 23 2 0 0 0 0 21 17 2 0 0 0 0 M END > (P7016760018) P7016760018 > (P7016760018) 0 > (P7016760018) 4 > (P7016760018) 1 > (P7016760018) 3.600000000000000e+000 > (P7016760018) 5 > (P7016760018) 4.119999999999999e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9292 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 9 2 0 0 0 0 15 11 1 0 0 0 0 16 21 1 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 10 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 25 16 1 0 0 0 0 26 15 1 0 0 0 0 8 5 1 0 0 0 0 7 10 1 0 0 0 0 20 16 1 0 0 0 0 23 19 2 0 0 0 0 17 15 2 0 0 0 0 M END > (P7016760019) P7016760019 > (P7016760019) 0 > (P7016760019) 4 > (P7016760019) 1 > (P7016760019) 3.700000000000000e+000 > (P7016760019) 5 > (P7016760019) 4.119999999999999e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 0.6208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 12 1 0 0 0 0 22 14 2 0 0 0 0 23 14 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 25 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 19 15 2 0 0 0 0 26 24 2 0 0 0 0 M END > (P7016760021) P7016760021 > (P7016760021) 0 > (P7016760021) 4 > (P7016760021) 1 > (P7016760021) 4.300000000000000e+000 > (P7016760021) 5 > (P7016760021) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 20 1 0 0 0 0 22 18 1 0 0 0 0 23 19 2 0 0 0 0 24 23 1 0 0 0 0 25 20 1 0 0 0 0 26 12 1 0 0 0 0 27 24 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 21 15 2 0 0 0 0 24 22 2 0 0 0 0 M END > (P7016760022) P7016760022 > (P7016760022) 0 > (P7016760022) 4 > (P7016760022) 1 > (P7016760022) 4.800000000000000e+000 > (P7016760022) 5 > (P7016760022) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 24 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 12 1 0 0 0 0 28 26 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 22 15 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P7016760023) P7016760023 > (P7016760023) 0 > (P7016760023) 5 > (P7016760023) 2 > (P7016760023) 4.300000000000000e+000 > (P7016760023) 5 > (P7016760023) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 3.8042 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2167 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4500 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 0.5333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 17 1 0 0 0 0 14 5 1 0 0 0 0 15 12 2 0 0 0 0 16 9 1 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 14 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 13 1 0 0 0 0 25 12 1 0 0 0 0 26 25 2 0 0 0 0 27 26 1 0 0 0 0 28 23 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 18 13 1 0 0 0 0 21 16 2 0 0 0 0 27 20 2 0 0 0 0 M END > (P7016760024) P7016760024 > (P7016760024) 0 > (P7016760024) 5 > (P7016760024) 2 > (P7016760024) 4.300000000000000e+000 > (P7016760024) 5 > (P7016760024) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 24 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 12 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 22 15 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P7016760026) P7016760026 > (P7016760026) 0 > (P7016760026) 4 > (P7016760026) 1 > (P7016760026) 4.500000000000000e+000 > (P7016760026) 5 > (P7016760026) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 17 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 24 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 12 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 16 12 1 0 0 0 0 22 15 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P7016760027) P7016760027 > (P7016760027) 0 > (P7016760027) 4 > (P7016760027) 1 > (P7016760027) 5.000000000000000e+000 > (P7016760027) 5 > (P7016760027) 2.809999999999999e+001 $$$$ -ISIS- 08092202382D 25 29 0 0 0 0 0 0 0 0999 V2000 3.3750 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7875 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -3.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 0.6625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 20 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 10 2 0 0 0 0 17 14 1 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 16 1 0 0 0 0 22 15 2 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 25 13 1 0 0 0 0 8 5 1 0 0 0 0 7 9 1 0 0 0 0 19 13 1 0 0 0 0 18 23 2 0 0 0 0 21 17 2 0 0 0 0 M END > (P7016760028) P7016760028 > (P7016760028) 0 > (P7016760028) 4 > (P7016760028) 1 > (P7016760028) 3.700000000000000e+000 > (P7016760028) 5 > (P7016760028) 4.119999999999999e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.2917 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7042 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7875 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 0.6625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 9 2 0 0 0 0 15 11 1 0 0 0 0 16 21 1 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 10 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 25 16 1 0 0 0 0 26 15 1 0 0 0 0 8 5 1 0 0 0 0 7 10 1 0 0 0 0 20 16 1 0 0 0 0 23 19 2 0 0 0 0 17 15 2 0 0 0 0 M END > (P7016760029) P7016760029 > (P7016760029) 0 > (P7016760029) 4 > (P7016760029) 1 > (P7016760029) 3.800000000000000e+000 > (P7016760029) 5 > (P7016760029) 4.119999999999999e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.2917 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7000 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5167 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7542 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 12 1 0 0 0 0 20 17 2 0 0 0 0 21 20 1 0 0 0 0 22 14 1 0 0 0 0 23 14 2 0 0 0 0 24 18 1 0 0 0 0 25 22 2 0 0 0 0 26 23 1 0 0 0 0 27 26 2 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 16 12 1 0 0 0 0 21 13 2 0 0 0 0 25 27 1 0 0 0 0 M END > (P7016760031) P7016760031 > (P7016760031) 0 > (P7016760031) 5 > (P7016760031) 2 > (P7016760031) 3.500000000000000e+000 > (P7016760031) 5 > (P7016760031) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 3.0250 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4292 -2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 6 1 0 0 0 0 20 21 1 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 14 1 0 0 0 0 24 20 1 0 0 0 0 25 12 1 0 0 0 0 26 19 2 0 0 0 0 27 26 1 0 0 0 0 28 23 1 0 0 0 0 29 24 1 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 16 12 1 0 0 0 0 27 14 2 0 0 0 0 22 20 2 0 0 0 0 M END > (P7016760033) P7016760033 > (P7016760033) 0 > (P7016760033) 6 > (P7016760033) 3 > (P7016760033) 3.500000000000000e+000 > (P7016760033) 5 > (P7016760033) 4.649999999999999e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 3.0250 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4292 -2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.0250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 6 1 0 0 0 0 20 21 1 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 20 1 0 0 0 0 24 14 1 0 0 0 0 25 12 1 0 0 0 0 26 19 2 0 0 0 0 27 26 1 0 0 0 0 28 24 1 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 16 12 1 0 0 0 0 27 14 2 0 0 0 0 22 20 2 0 0 0 0 M END > (P7016760035) P7016760035 > (P7016760035) 0 > (P7016760035) 5 > (P7016760035) 2 > (P7016760035) 3.700000000000000e+000 > (P7016760035) 5 > (P7016760035) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 3.0250 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4292 -2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 6 1 0 0 0 0 20 21 1 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 20 1 0 0 0 0 24 14 1 0 0 0 0 25 12 1 0 0 0 0 26 19 2 0 0 0 0 27 26 1 0 0 0 0 28 24 1 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 16 12 1 0 0 0 0 27 14 2 0 0 0 0 22 20 2 0 0 0 0 M END > (P7016760036) P7016760036 > (P7016760036) 0 > (P7016760036) 5 > (P7016760036) 2 > (P7016760036) 4.200000000000000e+000 > (P7016760036) 5 > (P7016760036) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 26 30 0 0 0 0 0 0 0 0999 V2000 3.0250 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4292 -2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6625 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 18 1 0 0 0 0 14 10 1 0 0 0 0 15 8 1 0 0 0 0 16 10 2 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 7 1 0 0 0 0 22 15 1 0 0 0 0 23 13 1 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 26 22 1 0 0 0 0 9 5 1 0 0 0 0 6 8 1 0 0 0 0 19 13 1 0 0 0 0 25 15 2 0 0 0 0 20 17 2 0 0 0 0 M END > (P7016760038) P7016760038 > (P7016760038) 0 > (P7016760038) 5 > (P7016760038) 2 > (P7016760038) 2.900000000000000e+000 > (P7016760038) 5 > (P7016760038) 5.040000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 3.0250 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4292 -2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 0.5333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 17 15 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 2 0 0 0 0 21 16 1 0 0 0 0 22 10 1 0 0 0 0 23 26 1 0 0 0 0 24 17 1 0 0 0 0 25 20 1 0 0 0 0 26 21 2 0 0 0 0 27 23 1 0 0 0 0 28 14 1 0 0 0 0 29 22 1 0 0 0 0 9 8 1 0 0 0 0 6 7 1 0 0 0 0 19 14 1 0 0 0 0 13 10 2 0 0 0 0 25 23 2 0 0 0 0 M END > (P7016760043) P7016760043 > (P7016760043) 0 > (P7016760043) 5 > (P7016760043) 2 > (P7016760043) 4.900000000000000e+000 > (P7016760043) 5 > (P7016760043) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 3.0250 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4292 -2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 0.5333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.0250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 17 15 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 2 0 0 0 0 21 16 1 0 0 0 0 22 10 1 0 0 0 0 23 26 1 0 0 0 0 24 17 1 0 0 0 0 25 20 1 0 0 0 0 26 21 2 0 0 0 0 27 23 1 0 0 0 0 28 14 1 0 0 0 0 29 22 1 0 0 0 0 9 8 1 0 0 0 0 6 7 1 0 0 0 0 19 14 1 0 0 0 0 13 10 2 0 0 0 0 25 23 2 0 0 0 0 M END > (P7016760044) P7016760044 > (P7016760044) 0 > (P7016760044) 5 > (P7016760044) 2 > (P7016760044) 4.500000000000000e+000 > (P7016760044) 5 > (P7016760044) 3.730000000000000e+001 $$$$ -ISIS- 08092202382D 32 37 0 0 0 0 0 0 0 0999 V2000 2.9667 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3667 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1542 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0667 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -3.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6042 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 18 1 0 0 0 0 14 10 1 0 0 0 0 15 8 1 0 0 0 0 16 10 2 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 13 1 0 0 0 0 22 7 1 0 0 0 0 23 21 1 0 0 0 0 24 15 1 0 0 0 0 25 22 2 0 0 0 0 26 25 1 0 0 0 0 27 23 2 0 0 0 0 28 23 1 0 0 0 0 29 24 1 0 0 0 0 30 28 2 0 0 0 0 31 27 1 0 0 0 0 32 30 1 0 0 0 0 5 9 1 0 0 0 0 8 6 1 0 0 0 0 13 19 1 0 0 0 0 15 26 2 0 0 0 0 17 20 2 0 0 0 0 31 32 2 0 0 0 0 M END > (P7016760087) P7016760087 > (P7016760087) 0 > (P7016760087) 5 > (P7016760087) 4 > (P7016760087) 4.500000000000000e+000 > (P7016760087) 6 > (P7016760087) 5.040000000000000e+001 $$$$ -ISIS- 08092202382D 33 38 0 0 0 0 0 0 0 0999 V2000 3.3750 -1.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7792 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -3.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4542 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 10 2 0 0 0 0 15 19 1 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 18 8 1 0 0 0 0 19 13 1 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 7 1 0 0 0 0 23 21 1 0 0 0 0 24 18 1 0 0 0 0 25 22 2 0 0 0 0 26 16 1 0 0 0 0 27 25 1 0 0 0 0 28 23 2 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 29 2 0 0 0 0 32 28 1 0 0 0 0 33 31 1 0 0 0 0 5 9 1 0 0 0 0 8 6 1 0 0 0 0 15 20 1 0 0 0 0 18 27 2 0 0 0 0 16 17 2 0 0 0 0 32 33 2 0 0 0 0 M END > (P7016760088) P7016760088 > (P7016760088) 0 > (P7016760088) 5 > (P7016760088) 4 > (P7016760088) 4.600000000000000e+000 > (P7016760088) 6 > (P7016760088) 5.040000000000000e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 0.2000 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.8500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5625 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.5917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -0.2375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0125 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 11 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 2 2 0 0 0 0 16 14 2 0 0 0 0 17 8 2 0 0 0 0 18 20 2 0 0 0 0 19 12 2 0 0 0 0 20 19 1 0 0 0 0 21 13 1 0 0 0 0 22 16 1 0 0 0 0 23 27 2 0 0 0 0 24 21 1 0 0 0 0 25 21 2 0 0 0 0 26 18 1 0 0 0 0 27 25 1 0 0 0 0 28 24 2 0 0 0 0 29 11 1 0 0 0 0 30 23 1 0 0 0 0 31 22 1 0 0 0 0 32 26 1 0 0 0 0 10 9 1 0 0 0 0 7 3 1 0 0 0 0 18 16 1 0 0 0 0 23 28 1 0 0 0 0 M END > (P7017560426) P7017560426 > (P7017560426) 1 > (P7017560426) 5 > (P7017560426) 6 > (P7017560426) 3.800000000000000e+000 > (P7017560426) 4 > (P7017560426) 1.085000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 0.0125 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.8500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3750 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -2.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -2.5917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -0.2375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2000 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 11 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 2 2 0 0 0 0 16 14 2 0 0 0 0 17 8 2 0 0 0 0 18 20 2 0 0 0 0 19 12 2 0 0 0 0 20 19 1 0 0 0 0 21 13 1 0 0 0 0 22 27 2 0 0 0 0 23 16 1 0 0 0 0 24 21 1 0 0 0 0 25 21 2 0 0 0 0 26 18 1 0 0 0 0 27 25 1 0 0 0 0 28 24 2 0 0 0 0 29 22 1 0 0 0 0 30 11 1 0 0 0 0 31 23 1 0 0 0 0 32 26 1 0 0 0 0 33 29 1 0 0 0 0 10 9 1 0 0 0 0 7 3 1 0 0 0 0 18 16 1 0 0 0 0 22 28 1 0 0 0 0 M END > (P7017560914) P7017560914 > (P7017560914) 1 > (P7017560914) 6 > (P7017560914) 7 > (P7017560914) 3.300000000000000e+000 > (P7017560914) 4 > (P7017560914) 1.177000000000000e+002 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 9.7500 -6.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -6.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1625 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1917 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.6667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9042 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1792 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9042 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1917 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 20 2 0 0 0 0 19 10 2 0 0 0 0 20 11 1 0 0 0 0 21 6 1 0 0 0 0 22 11 1 0 0 0 0 23 10 1 0 0 0 0 24 22 1 0 0 0 0 19 18 1 0 0 0 0 14 16 2 0 0 0 0 M END > (P7017570052) P7017570052 > (P7017570052) 1 > (P7017570052) 3 > (P7017570052) 6 > (P7017570052) 4.400000000000000e+000 > (P7017570052) 2 > (P7017570052) 5.540000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.9333 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.5750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5083 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -2.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -2.6417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7667 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 11 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 4 2 0 0 0 0 15 7 2 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 22 2 0 0 0 0 21 16 2 0 0 0 0 22 17 1 0 0 0 0 23 17 1 0 0 0 0 24 16 1 0 0 0 0 25 23 1 0 0 0 0 13 8 1 0 0 0 0 5 6 2 0 0 0 0 20 21 1 0 0 0 0 M END > (P7018720374) P7018720374 > (P7018720374) 1 > (P7018720374) 3 > (P7018720374) 4 > (P7018720374) 3.400000000000000e+000 > (P7018720374) 3 > (P7018720374) 9.000000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 3.6042 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 1.8833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 2.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2167 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 11 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 3 2 0 0 0 0 13 7 2 0 0 0 0 14 10 2 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 22 17 1 0 0 0 0 23 22 1 0 0 0 0 24 19 2 0 0 0 0 25 24 1 0 0 0 0 4 3 1 0 0 0 0 18 15 1 0 0 0 0 21 25 2 0 0 0 0 M END > (P7020070704) P7020070704 > (P7020070704) 2 > (P7020070704) 5 > (P7020070704) 6 > (P7020070704) 3.000000000000000e+000 > (P7020070704) 3 > (P7020070704) 1.051000000000000e+002 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.3917 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 2.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 3.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 2.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 2.2208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 2.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5583 1.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 3.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 9 2 0 0 0 0 13 12 1 0 0 0 0 14 7 2 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 16 2 0 0 0 0 24 23 1 0 0 0 0 8 7 1 0 0 0 0 22 21 2 0 0 0 0 24 18 2 0 0 0 0 M END > (P7020180102) P7020180102 > (P7020180102) 2 > (P7020180102) 4 > (P7020180102) 6 > (P7020180102) 3.900000000000000e+000 > (P7020180102) 3 > (P7020180102) 9.229999999999998e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 -0.3458 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 1.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 0.6708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0750 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 11 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 3 2 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 10 2 0 0 0 0 19 11 1 0 0 0 0 20 14 2 0 0 0 0 21 17 1 0 0 0 0 22 23 1 0 0 0 0 23 16 1 0 0 0 0 24 21 1 0 0 0 0 25 18 1 0 0 0 0 26 25 2 0 0 0 0 3 4 1 0 0 0 0 15 22 1 0 0 0 0 26 20 1 0 0 0 0 M END > (P7020340080) P7020340080 > (P7020340080) 2 > (P7020340080) 5 > (P7020340080) 6 > (P7020340080) 3.500000000000000e+000 > (P7020340080) 3 > (P7020340080) 1.051000000000000e+002 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 3.0125 0.6833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3625 0.1583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8250 -2.3375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.4208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5500 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 12 2 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 1 2 0 0 0 0 15 1 2 0 0 0 0 16 3 2 0 0 0 0 17 3 2 0 0 0 0 18 22 1 0 0 0 0 19 5 2 0 0 0 0 20 6 1 0 0 0 0 21 13 2 0 0 0 0 22 20 2 0 0 0 0 23 13 1 0 0 0 0 24 8 1 0 0 0 0 25 11 1 0 0 0 0 26 18 1 0 0 0 0 27 12 1 0 0 0 0 28 23 1 0 0 0 0 29 26 1 0 0 0 0 30 31 1 0 0 0 0 31 27 2 0 0 0 0 8 5 1 0 0 0 0 18 4 2 0 0 0 0 30 25 2 0 0 0 0 M END > (P7020431982) P7020431982 > (P7020431982) 1 > (P7020431982) 8 > (P7020431982) 7 > (P7020431982) 1.500000000000000e+000 > (P7020431982) 3 > (P7020431982) 1.529000000000000e+002 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 3.0125 1.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8250 -1.9917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3625 0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7000 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 1 2 0 0 0 0 13 1 2 0 0 0 0 14 2 2 0 0 0 0 15 2 2 0 0 0 0 16 9 2 0 0 0 0 17 21 1 0 0 0 0 18 16 1 0 0 0 0 19 5 1 0 0 0 0 20 8 2 0 0 0 0 21 19 2 0 0 0 0 22 17 1 0 0 0 0 23 9 1 0 0 0 0 24 18 1 0 0 0 0 25 16 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 28 24 1 0 0 0 0 29 23 2 0 0 0 0 30 26 1 0 0 0 0 31 29 1 0 0 0 0 10 8 1 0 0 0 0 17 4 2 0 0 0 0 31 25 2 0 0 0 0 M END > (P7020432140) P7020432140 > (P7020432140) 1 > (P7020432140) 7 > (P7020432140) 8 > (P7020432140) 2.200000000000000e+000 > (P7020432140) 3 > (P7020432140) 1.358000000000000e+002 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 3.0125 0.6833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8250 -2.3375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3625 0.1583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 10 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 13 1 0 0 0 0 13 1 1 0 0 0 0 14 1 2 0 0 0 0 15 1 2 0 0 0 0 16 2 2 0 0 0 0 17 2 2 0 0 0 0 18 22 1 0 0 0 0 19 5 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 19 2 0 0 0 0 23 11 1 0 0 0 0 24 9 1 0 0 0 0 25 18 1 0 0 0 0 26 10 1 0 0 0 0 27 25 1 0 0 0 0 28 23 1 0 0 0 0 29 30 1 0 0 0 0 30 26 2 0 0 0 0 31 27 1 0 0 0 0 12 8 1 0 0 0 0 18 4 2 0 0 0 0 29 24 2 0 0 0 0 M END > (P7020432149) P7020432149 > (P7020432149) 1 > (P7020432149) 8 > (P7020432149) 8 > (P7020432149) 1.300000000000000e+000 > (P7020432149) 3 > (P7020432149) 1.529000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -1.2833 1.0083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.3042 -0.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2833 0.0083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2833 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 2.5958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 3 1 0 0 0 0 12 2 2 0 0 0 0 13 2 2 0 0 0 0 14 4 2 0 0 0 0 15 5 1 0 0 0 0 16 5 2 0 0 0 0 17 8 1 0 0 0 0 18 23 2 0 0 0 0 19 14 1 0 0 0 0 20 15 2 0 0 0 0 21 16 1 0 0 0 0 22 21 2 0 0 0 0 23 11 1 0 0 0 0 24 11 2 0 0 0 0 25 28 2 0 0 0 0 26 15 1 0 0 0 0 27 21 1 0 0 0 0 28 24 1 0 0 0 0 19 17 2 0 0 0 0 25 18 1 0 0 0 0 22 20 1 0 0 0 0 M END > (P7020490013) P7020490013 > (P7020490013) 1 > (P7020490013) 5 > (P7020490013) 7 > (P7020490013) 3.100000000000000e+000 > (P7020490013) 3 > (P7020490013) 1.382000000000000e+002 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.7125 0.5083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.7208 -0.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7125 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 2.0958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3333 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 3 1 0 0 0 0 14 2 2 0 0 0 0 15 2 2 0 0 0 0 16 9 1 0 0 0 0 17 8 2 0 0 0 0 18 4 2 0 0 0 0 19 10 1 0 0 0 0 20 16 2 0 0 0 0 21 23 2 0 0 0 0 22 18 1 0 0 0 0 23 13 1 0 0 0 0 24 8 1 0 0 0 0 25 9 1 0 0 0 0 26 13 2 0 0 0 0 27 29 2 0 0 0 0 28 20 1 0 0 0 0 29 26 1 0 0 0 0 22 19 2 0 0 0 0 27 21 1 0 0 0 0 20 17 1 0 0 0 0 M END > (P7020490015) P7020490015 > (P7020490015) 1 > (P7020490015) 5 > (P7020490015) 7 > (P7020490015) 3.600000000000000e+000 > (P7020490015) 3 > (P7020490015) 1.382000000000000e+002 $$$$ -ISIS- 08092202382D 22 24 0 0 0 0 0 0 0 0999 V2000 2.6125 -1.1500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6125 -1.9750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6042 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 0.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -2.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 2 1 0 0 0 0 14 3 2 0 0 0 0 15 9 1 0 0 0 0 16 5 2 0 0 0 0 17 19 2 0 0 0 0 18 14 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 15 18 2 0 0 0 0 17 21 1 0 0 0 0 7 8 1 0 0 0 0 M END > (P7020490057) P7020490057 > (P7020490057) 1 > (P7020490057) 4 > (P7020490057) 6 > (P7020490057) 1.600000000000000e+000 > (P7020490057) 3 > (P7020490057) 1.127000000000000e+002 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 2.6125 -1.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6125 -1.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 2.1458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 3 2 0 0 0 0 11 18 2 0 0 0 0 12 5 2 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 7 1 0 0 0 0 19 15 1 0 0 0 0 20 7 2 0 0 0 0 21 24 2 0 0 0 0 22 14 1 0 0 0 0 23 14 1 0 0 0 0 24 20 1 0 0 0 0 15 17 2 0 0 0 0 21 11 1 0 0 0 0 M END > (P7020490789) P7020490789 > (P7020490789) 1 > (P7020490789) 4 > (P7020490789) 6 > (P7020490789) 2.800000000000000e+000 > (P7020490789) 2 > (P7020490789) 8.450000000000001e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 2.6125 -1.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6125 -1.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 3 2 0 0 0 0 11 18 2 0 0 0 0 12 5 2 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 7 1 0 0 0 0 19 15 1 0 0 0 0 20 7 2 0 0 0 0 21 25 2 0 0 0 0 22 14 1 0 0 0 0 23 14 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 15 17 2 0 0 0 0 11 21 1 0 0 0 0 M END > (P7020490976) P7020490976 > (P7020490976) 1 > (P7020490976) 5 > (P7020490976) 7 > (P7020490976) 2.100000000000000e+000 > (P7020490976) 2 > (P7020490976) 9.370000000000002e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -1.2208 -0.3750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.3667 -1.9000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2208 -1.3750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -1.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 3.6208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 2 2 0 0 0 0 14 2 2 0 0 0 0 15 9 1 0 0 0 0 16 4 2 0 0 0 0 17 22 1 0 0 0 0 18 8 1 0 0 0 0 19 5 1 0 0 0 0 20 24 2 0 0 0 0 21 16 1 0 0 0 0 22 19 2 0 0 0 0 23 17 1 0 0 0 0 24 10 1 0 0 0 0 25 10 2 0 0 0 0 26 15 1 0 0 0 0 27 28 2 0 0 0 0 28 25 1 0 0 0 0 15 17 2 0 0 0 0 27 20 1 0 0 0 0 21 18 2 0 0 0 0 M END > (P7020532371) P7020532371 > (P7020532371) 1 > (P7020532371) 5 > (P7020532371) 7 > (P7020532371) 2.900000000000000e+000 > (P7020532371) 3 > (P7020532371) 1.382000000000000e+002 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.3083 -0.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3083 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3125 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -3.0042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 3.5083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 4 2 0 0 0 0 14 18 1 0 0 0 0 15 3 1 0 0 0 0 16 5 2 0 0 0 0 17 21 2 0 0 0 0 18 15 2 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 11 1 0 0 0 0 22 4 1 0 0 0 0 23 11 2 0 0 0 0 24 12 1 0 0 0 0 25 27 2 0 0 0 0 26 13 1 0 0 0 0 27 23 1 0 0 0 0 28 22 2 0 0 0 0 29 28 1 0 0 0 0 14 12 2 0 0 0 0 17 25 1 0 0 0 0 29 26 2 0 0 0 0 M END > (P7020553220) P7020553220 > (P7020553220) 1 > (P7020553220) 4 > (P7020553220) 6 > (P7020553220) 3.600000000000000e+000 > (P7020553220) 3 > (P7020553220) 8.450000000000001e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.3083 -0.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3083 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3125 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -3.0042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 3.5083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 4 2 0 0 0 0 14 18 1 0 0 0 0 15 3 1 0 0 0 0 16 5 2 0 0 0 0 17 21 2 0 0 0 0 18 15 2 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 11 1 0 0 0 0 22 4 1 0 0 0 0 23 11 2 0 0 0 0 24 12 1 0 0 0 0 25 27 2 0 0 0 0 26 13 1 0 0 0 0 27 23 1 0 0 0 0 28 22 2 0 0 0 0 29 28 1 0 0 0 0 14 12 2 0 0 0 0 17 25 1 0 0 0 0 29 26 2 0 0 0 0 M END > (P7020553223) P7020553223 > (P7020553223) 1 > (P7020553223) 4 > (P7020553223) 6 > (P7020553223) 4.100000000000000e+000 > (P7020553223) 3 > (P7020553223) 8.450000000000001e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 4.3792 -6.6042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.3875 -7.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3792 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -6.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -6.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -7.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -7.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -8.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -9.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -3.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -7.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9542 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 17 1 0 0 0 0 14 3 1 0 0 0 0 15 4 2 0 0 0 0 16 19 2 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 9 1 0 0 0 0 20 12 1 0 0 0 0 21 9 2 0 0 0 0 22 11 1 0 0 0 0 23 26 2 0 0 0 0 24 20 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 28 24 1 0 0 0 0 29 27 1 0 0 0 0 13 11 2 0 0 0 0 16 23 1 0 0 0 0 29 28 1 0 0 0 0 M END > (P7020553245) P7020553245 > (P7020553245) 2 > (P7020553245) 4 > (P7020553245) 6 > (P7020553245) 3.600000000000000e+000 > (P7020553245) 3 > (P7020553245) 9.650000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.3708 -3.5417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3625 -4.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3708 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -4.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -4.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -6.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -0.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 17 1 0 0 0 0 14 3 1 0 0 0 0 15 4 2 0 0 0 0 16 20 2 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 12 1 0 0 0 0 20 9 1 0 0 0 0 21 9 2 0 0 0 0 22 11 1 0 0 0 0 23 26 2 0 0 0 0 24 19 2 0 0 0 0 25 19 1 0 0 0 0 26 21 1 0 0 0 0 27 25 2 0 0 0 0 28 24 1 0 0 0 0 29 27 1 0 0 0 0 13 11 2 0 0 0 0 16 23 1 0 0 0 0 29 28 2 0 0 0 0 M END > (P7020553246) P7020553246 > (P7020553246) 2 > (P7020553246) 4 > (P7020553246) 6 > (P7020553246) 3.300000000000000e+000 > (P7020553246) 3 > (P7020553246) 9.650000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.2958 -0.4917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2958 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3083 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -3.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 3.5083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 4 2 0 0 0 0 14 18 1 0 0 0 0 15 3 1 0 0 0 0 16 5 2 0 0 0 0 17 21 2 0 0 0 0 18 15 2 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 11 1 0 0 0 0 22 4 1 0 0 0 0 23 11 2 0 0 0 0 24 12 1 0 0 0 0 25 27 2 0 0 0 0 26 13 1 0 0 0 0 27 23 1 0 0 0 0 28 22 2 0 0 0 0 29 28 1 0 0 0 0 14 12 2 0 0 0 0 17 25 1 0 0 0 0 29 26 2 0 0 0 0 M END > (P7020553249) P7020553249 > (P7020553249) 1 > (P7020553249) 4 > (P7020553249) 6 > (P7020553249) 4.000000000000000e+000 > (P7020553249) 3 > (P7020553249) 8.450000000000001e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 0.9500 -1.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.9500 -2.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 11 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 13 4 2 0 0 0 0 14 8 2 0 0 0 0 15 1 1 0 0 0 0 16 8 1 0 0 0 0 17 2 1 0 0 0 0 18 3 1 0 0 0 0 19 7 2 0 0 0 0 20 6 1 0 0 0 0 21 22 2 0 0 0 0 22 19 1 0 0 0 0 23 16 1 0 0 0 0 24 15 1 0 0 0 0 25 24 1 0 0 0 0 26 27 1 0 0 0 0 27 20 2 0 0 0 0 17 25 1 0 0 0 0 11 21 1 0 0 0 0 26 18 2 0 0 0 0 M END > (P7020555955) P7020555955 > (P7020555955) 1 > (P7020555955) 5 > (P7020555955) 5 > (P7020555955) 2.000000000000000e+000 > (P7020555955) 3 > (P7020555955) 1.012000000000000e+002 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 0.2125 -2.5667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.2042 -3.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2125 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -3.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 14 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 4 1 0 0 0 0 12 1 2 0 0 0 0 13 1 2 0 0 0 0 14 16 2 0 0 0 0 15 3 1 0 0 0 0 16 7 1 0 0 0 0 17 5 2 0 0 0 0 18 10 1 0 0 0 0 19 8 2 0 0 0 0 20 9 2 0 0 0 0 21 1 1 0 0 0 0 22 8 1 0 0 0 0 23 9 1 0 0 0 0 24 2 1 0 0 0 0 25 7 2 0 0 0 0 26 27 2 0 0 0 0 27 25 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 21 1 0 0 0 0 31 30 1 0 0 0 0 24 31 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 M END > (P7020555986) P7020555986 > (P7020555986) 1 > (P7020555986) 7 > (P7020555986) 7 > (P7020555986) 1.900000000000000e+000 > (P7020555986) 3 > (P7020555986) 1.275000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.9292 -1.1917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.9375 -2.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6625 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -3.6917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 6 1 0 0 0 0 11 3 2 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 17 2 0 0 0 0 16 1 1 0 0 0 0 17 11 1 0 0 0 0 18 2 1 0 0 0 0 19 11 1 0 0 0 0 20 13 1 0 0 0 0 21 10 1 0 0 0 0 22 12 1 0 0 0 0 23 16 1 0 0 0 0 24 23 1 0 0 0 0 25 20 1 0 0 0 0 26 20 1 0 0 0 0 27 21 2 0 0 0 0 28 27 1 0 0 0 0 18 24 1 0 0 0 0 7 15 1 0 0 0 0 28 22 2 0 0 0 0 M END > (P7020556211) P7020556211 > (P7020556211) 1 > (P7020556211) 4 > (P7020556211) 5 > (P7020556211) 3.600000000000000e+000 > (P7020556211) 3 > (P7020556211) 8.410000000000002e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.9500 -1.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.9500 -2.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -4.0167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 8 2 0 0 0 0 5 10 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 3 2 0 0 0 0 14 5 2 0 0 0 0 15 9 2 0 0 0 0 16 18 2 0 0 0 0 17 1 1 0 0 0 0 18 13 1 0 0 0 0 19 2 1 0 0 0 0 20 9 1 0 0 0 0 21 13 1 0 0 0 0 22 4 1 0 0 0 0 23 8 1 0 0 0 0 24 20 1 0 0 0 0 25 17 1 0 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 28 23 2 0 0 0 0 19 26 1 0 0 0 0 10 16 1 0 0 0 0 27 22 2 0 0 0 0 M END > (P7020556223) P7020556223 > (P7020556223) 1 > (P7020556223) 5 > (P7020556223) 5 > (P7020556223) 2.700000000000000e+000 > (P7020556223) 3 > (P7020556223) 1.012000000000000e+002 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 0.3000 -1.1125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.2875 -1.9417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -2.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -3.6042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 8 1 0 0 0 0 5 10 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 3 2 0 0 0 0 14 5 2 0 0 0 0 15 9 2 0 0 0 0 16 18 2 0 0 0 0 17 1 1 0 0 0 0 18 13 1 0 0 0 0 19 2 1 0 0 0 0 20 9 1 0 0 0 0 21 13 1 0 0 0 0 22 4 2 0 0 0 0 23 8 2 0 0 0 0 24 20 1 0 0 0 0 25 17 1 0 0 0 0 26 25 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 29 24 1 0 0 0 0 26 19 1 0 0 0 0 16 10 1 0 0 0 0 22 27 1 0 0 0 0 M END > (P7020556245) P7020556245 > (P7020556245) 1 > (P7020556245) 5 > (P7020556245) 6 > (P7020556245) 3.100000000000000e+000 > (P7020556245) 3 > (P7020556245) 1.012000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.9500 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.9500 -2.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1125 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -3.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 2 0 0 0 0 4 3 1 0 0 0 0 5 9 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 18 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 1 1 0 0 0 0 18 15 1 0 0 0 0 19 10 1 0 0 0 0 20 13 1 0 0 0 0 21 2 1 0 0 0 0 22 5 1 0 0 0 0 23 9 1 0 0 0 0 24 19 1 0 0 0 0 25 17 1 0 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 28 23 2 0 0 0 0 26 21 1 0 0 0 0 13 3 1 0 0 0 0 22 27 2 0 0 0 0 M END > (P7020556351) P7020556351 > (P7020556351) 1 > (P7020556351) 5 > (P7020556351) 5 > (P7020556351) 2.700000000000000e+000 > (P7020556351) 3 > (P7020556351) 1.012000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 8.0875 -10.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -11.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -10.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5250 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -10.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6625 -10.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -10.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -12.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -11.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -12.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -11.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -11.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -12.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -12.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -12.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -7.2417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -10.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -9.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 17 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 1 2 0 0 0 0 14 11 1 0 0 0 0 15 2 2 0 0 0 0 16 4 1 0 0 0 0 17 16 2 0 0 0 0 18 24 1 0 0 0 0 19 13 1 0 0 0 0 21 1 1 0 0 0 0 22 3 1 0 0 0 0 23 3 1 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 26 13 1 0 0 0 0 27 21 2 0 0 0 0 28 27 1 0 0 0 0 28 26 2 0 0 0 0 25 18 1 0 0 0 0 10 7 2 0 0 0 0 14 12 1 0 0 0 0 M END > (P7020556547) P7020556547 > (P7020556547) HCl > (P7020556547) 1 > (P7020556547) 5 > (P7020556547) 5 > (P7020556547) 2.500000000000000e+000 > (P7020556547) 4 > (P7020556547) 6.000000000000000e+001 $$$$ -ISIS- 08092202382D 25 26 0 0 0 0 0 0 0 0999 V2000 10.6167 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3042 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 1.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 2.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.4292 2.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8042 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4625 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 1.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 1.8958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 1.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0667 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 2.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1750 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 9 2 0 0 0 0 11 13 1 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 18 1 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 12 2 0 0 0 0 19 8 1 0 0 0 0 20 4 1 0 0 0 0 21 13 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 5 6 2 0 0 0 0 15 14 2 0 0 0 0 M END > (P7020595975) P7020595975 > (P7020595975) 1 > (P7020595975) 7 > (P7020595975) 8 > (P7020595975) 2.000000000000000e+000 > (P7020595975) 2 > (P7020595975) 1.243000000000000e+002 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 3.8292 -2.3417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1042 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 0.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 10 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 1 2 0 0 0 0 13 1 2 0 0 0 0 14 2 2 0 0 0 0 15 21 2 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 18 8 2 0 0 0 0 19 9 2 0 0 0 0 20 11 2 0 0 0 0 21 14 1 0 0 0 0 22 11 1 0 0 0 0 23 7 1 0 0 0 0 24 14 1 0 0 0 0 25 10 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 28 29 1 0 0 0 0 29 25 2 0 0 0 0 4 15 1 0 0 0 0 23 28 2 0 0 0 0 17 16 1 0 0 0 0 M END > (P7020601843) P7020601843 > (P7020601843) 1 > (P7020601843) 7 > (P7020601843) 7 > (P7020601843) 1.300000000000000e+000 > (P7020601843) 3 > (P7020601843) 1.275000000000000e+002 $$$$ -ISIS- 08092202382D 16 16 0 0 0 0 0 0 0 0999 V2000 1.6250 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6042 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 2.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 2.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 4 5 2 0 0 0 0 M END > (P7020654129) P7020654129 > (P7020654129) 2 > (P7020654129) 2 > (P7020654129) 3 > (P7020654129) 4.000000000000000e-001 > (P7020654129) 1 > (P7020654129) 6.309999999999999e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 2.1500 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -1.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.4958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3083 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 1.9833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 5 12 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 17 1 0 0 0 0 15 5 2 0 0 0 0 16 4 1 0 0 0 0 17 19 2 0 0 0 0 18 10 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 7 1 0 0 0 0 22 12 1 0 0 0 0 23 16 1 0 0 0 0 24 16 2 0 0 0 0 25 20 1 0 0 0 0 26 24 1 0 0 0 0 27 23 2 0 0 0 0 28 26 2 0 0 0 0 3 7 2 0 0 0 0 27 28 1 0 0 0 0 10 14 2 0 0 0 0 M END > (P7020721564) P7020721564 > (P7020721564) 1 > (P7020721564) 5 > (P7020721564) 6 > (P7020721564) 4.800000000000000e+000 > (P7020721564) 3 > (P7020721564) 8.940000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 1.8125 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -0.8167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8083 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 13 1 0 0 0 0 16 7 1 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 13 1 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 24 19 2 0 0 0 0 25 24 1 0 0 0 0 4 9 2 0 0 0 0 18 16 1 0 0 0 0 21 25 2 0 0 0 0 M END > (P7020721570) P7020721570 > (P7020721570) 1 > (P7020721570) 5 > (P7020721570) 6 > (P7020721570) 3.600000000000000e+000 > (P7020721570) 3 > (P7020721570) 8.940000000000001e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.3083 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.5083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 1 1 0 0 0 0 11 1 2 0 0 0 0 12 5 2 0 0 0 0 13 6 2 0 0 0 0 14 5 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 17 10 2 0 0 0 0 18 11 1 0 0 0 0 19 10 1 0 0 0 0 20 13 1 0 0 0 0 21 19 1 0 0 0 0 22 18 1 0 0 0 0 15 17 1 0 0 0 0 8 7 2 0 0 0 0 M END > (P7020721585) P7020721585 > (P7020721585) 1 > (P7020721585) 4 > (P7020721585) 6 > (P7020721585) 3.900000000000000e+000 > (P7020721585) 2 > (P7020721585) 8.019999999999999e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 0.1500 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -1.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1542 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8125 -2.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -2.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -1.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -1.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 4 2 0 0 0 0 14 12 2 0 0 0 0 15 6 1 0 0 0 0 16 5 1 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 23 20 2 0 0 0 0 24 19 1 0 0 0 0 25 23 1 0 0 0 0 2 7 1 0 0 0 0 8 11 1 0 0 0 0 24 25 2 0 0 0 0 17 21 2 0 0 0 0 M END > (P7111580013) P7111580013 > (P7111580013) 2 > (P7111580013) 5 > (P7111580013) 3 > (P7111580013) 1.700000000000000e+000 > (P7111580013) 4 > (P7111580013) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 0.1000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1000 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1042 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 6 2 0 0 0 0 13 5 1 0 0 0 0 14 17 1 0 0 0 0 15 11 1 0 0 0 0 16 4 1 0 0 0 0 17 15 2 0 0 0 0 18 22 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 15 1 0 0 0 0 22 21 2 0 0 0 0 23 19 2 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 7 2 1 0 0 0 0 10 8 1 0 0 0 0 23 25 1 0 0 0 0 18 14 2 0 0 0 0 M END > (P7111580018) P7111580018 > (P7111580018) 2 > (P7111580018) 5 > (P7111580018) 3 > (P7111580018) 1.100000000000000e+000 > (P7111580018) 4 > (P7111580018) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.8958 -0.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8958 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5500 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 15 2 0 0 0 0 18 8 1 0 0 0 0 19 11 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 22 14 2 0 0 0 0 23 14 1 0 0 0 0 24 21 2 0 0 0 0 25 16 1 0 0 0 0 26 16 2 0 0 0 0 27 23 2 0 0 0 0 28 22 1 0 0 0 0 29 26 1 0 0 0 0 30 25 2 0 0 0 0 31 29 2 0 0 0 0 32 27 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 24 17 1 0 0 0 0 28 32 2 0 0 0 0 31 30 1 0 0 0 0 M END > (P7111580105) P7111580105 > (P7111580105) 3 > (P7111580105) 5 > (P7111580105) 4 > (P7111580105) 3.700000000000000e+000 > (P7111580105) 5 > (P7111580105) 9.210000000000001e+001 $$$$ -ISIS- 08092202382D 18 18 0 0 0 0 0 0 0 0999 V2000 2.7375 -1.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8500 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 1.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -0.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0000 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 8 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 5 4 1 0 0 0 0 M END > (P7111630178) P7111630178 > (P7111630178) 1 > (P7111630178) 4 > (P7111630178) 5 > (P7111630178) 1.400000000000000e+000 > (P7111630178) 1 > (P7111630178) 8.710000000000001e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 1.3292 1.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3292 2.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 1.6333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1708 1.6333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.8125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 20 2 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 7 5 1 0 0 0 0 4 6 1 0 0 0 0 16 18 2 0 0 0 0 23 24 2 0 0 0 0 M END > (P7111630242) P7111630242 > (P7111630242) 0 > (P7111630242) 4 > (P7111630242) 2 > (P7111630242) 2.800000000000000e+000 > (P7111630242) 4 > (P7111630242) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 1.3167 1.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3167 2.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2375 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 1.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1958 1.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2375 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1667 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 4 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 15 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 19 1 0 0 0 0 23 13 1 0 0 0 0 24 21 1 0 0 0 0 25 20 2 0 0 0 0 26 24 2 0 0 0 0 5 7 1 0 0 0 0 4 6 1 0 0 0 0 16 18 2 0 0 0 0 25 26 1 0 0 0 0 M END > (P7111630269) P7111630269 > (P7111630269) 0 > (P7111630269) 5 > (P7111630269) 4 > (P7111630269) 2.600000000000000e+000 > (P7111630269) 4 > (P7111630269) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 1.2542 1.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2542 2.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1792 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 1.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2125 1.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1792 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 4 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 15 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 19 1 0 0 0 0 23 13 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 20 2 0 0 0 0 27 21 1 0 0 0 0 28 27 2 0 0 0 0 5 7 1 0 0 0 0 4 6 1 0 0 0 0 18 16 2 0 0 0 0 28 26 1 0 0 0 0 M END > (P7111630271) P7111630271 > (P7111630271) 0 > (P7111630271) 5 > (P7111630271) 6 > (P7111630271) 3.600000000000000e+000 > (P7111630271) 4 > (P7111630271) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 0.5292 1.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 2.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 1.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0208 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 1.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8458 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4792 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 20 2 0 0 0 0 18 14 1 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 21 9 1 0 0 0 0 22 17 1 0 0 0 0 23 21 2 0 0 0 0 24 13 1 0 0 0 0 25 13 2 0 0 0 0 26 23 1 0 0 0 0 27 18 1 0 0 0 0 28 22 1 0 0 0 0 29 25 1 0 0 0 0 30 24 2 0 0 0 0 31 29 2 0 0 0 0 3 2 1 0 0 0 0 6 7 1 0 0 0 0 26 18 2 0 0 0 0 19 17 1 0 0 0 0 31 30 1 0 0 0 0 M END > (P7111630276) P7111630276 > (P7111630276) 0 > (P7111630276) 5 > (P7111630276) 4 > (P7111630276) 4.400000000000000e+000 > (P7111630276) 5 > (P7111630276) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 0.5292 1.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 2.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 1.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0208 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 1.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8458 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4792 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.1958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 6 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 10 1 0 0 0 0 18 20 2 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 21 9 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 21 2 0 0 0 0 25 14 2 0 0 0 0 26 14 1 0 0 0 0 27 24 1 0 0 0 0 28 23 1 0 0 0 0 29 25 1 0 0 0 0 30 26 2 0 0 0 0 31 30 1 0 0 0 0 2 3 1 0 0 0 0 7 6 1 0 0 0 0 17 27 2 0 0 0 0 18 19 1 0 0 0 0 29 31 2 0 0 0 0 M END > (P7111630277) P7111630277 > (P7111630277) 0 > (P7111630277) 5 > (P7111630277) 4 > (P7111630277) 4.500000000000000e+000 > (P7111630277) 5 > (P7111630277) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 1.3667 1.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3667 2.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1833 1.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4292 0.7958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 1.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -3.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 13 3 1 0 0 0 0 14 5 2 0 0 0 0 15 8 2 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 16 1 0 0 0 0 20 13 2 0 0 0 0 21 13 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 21 2 0 0 0 0 25 20 1 0 0 0 0 26 24 1 0 0 0 0 8 7 1 0 0 0 0 3 6 1 0 0 0 0 16 12 1 0 0 0 0 25 26 2 0 0 0 0 M END > (P7111630361) P7111630361 > (P7111630361) 1 > (P7111630361) 6 > (P7111630361) 4 > (P7111630361) 2.100000000000000e+000 > (P7111630361) 4 > (P7111630361) 7.709999999999999e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 1.3667 2.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3667 1.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9375 1.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4292 0.7958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4292 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2833 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -3.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 10 2 0 0 0 0 15 6 1 0 0 0 0 16 3 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 19 10 1 0 0 0 0 20 17 1 0 0 0 0 21 15 1 0 0 0 0 22 15 2 0 0 0 0 23 16 1 0 0 0 0 24 16 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 21 2 0 0 0 0 29 27 2 0 0 0 0 7 6 1 0 0 0 0 5 3 1 0 0 0 0 29 28 1 0 0 0 0 17 14 1 0 0 0 0 M END > (P7111630364) P7111630364 > (P7111630364) 0 > (P7111630364) 6 > (P7111630364) 5 > (P7111630364) 3.000000000000000e+000 > (P7111630364) 4 > (P7111630364) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 1.3667 1.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3667 2.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 1.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1833 1.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.7958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4292 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -3.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 10 2 0 0 0 0 14 5 1 0 0 0 0 15 6 2 0 0 0 0 16 4 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 19 10 1 0 0 0 0 20 17 1 0 0 0 0 21 14 1 0 0 0 0 22 14 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 16 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 22 1 0 0 0 0 29 21 2 0 0 0 0 30 28 2 0 0 0 0 8 5 1 0 0 0 0 6 4 1 0 0 0 0 13 17 1 0 0 0 0 29 30 1 0 0 0 0 M END > (P7111630365) P7111630365 > (P7111630365) 0 > (P7111630365) 6 > (P7111630365) 7 > (P7111630365) 3.600000000000000e+000 > (P7111630365) 4 > (P7111630365) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 0.5542 1.4708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 1.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 1.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 1.4708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7958 0.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7958 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 2.8833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 9 2 0 0 0 0 14 5 2 0 0 0 0 15 4 2 0 0 0 0 16 11 2 0 0 0 0 17 6 1 0 0 0 0 18 20 2 0 0 0 0 19 12 2 0 0 0 0 20 13 1 0 0 0 0 21 11 1 0 0 0 0 22 10 2 0 0 0 0 23 19 1 0 0 0 0 24 18 1 0 0 0 0 25 22 1 0 0 0 0 26 17 2 0 0 0 0 27 17 1 0 0 0 0 28 25 2 0 0 0 0 29 21 1 0 0 0 0 30 24 1 0 0 0 0 31 27 2 0 0 0 0 32 26 1 0 0 0 0 33 31 1 0 0 0 0 2 3 1 0 0 0 0 8 6 1 0 0 0 0 19 28 1 0 0 0 0 18 16 1 0 0 0 0 32 33 2 0 0 0 0 M END > (P7111630373) P7111630373 > (P7111630373) 0 > (P7111630373) 6 > (P7111630373) 5 > (P7111630373) 4.500000000000000e+000 > (P7111630373) 5 > (P7111630373) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 -0.9125 1.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 1.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5542 1.4708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 1.4708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7958 0.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7958 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 9 2 0 0 0 0 13 5 2 0 0 0 0 14 4 2 0 0 0 0 15 10 2 0 0 0 0 16 6 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 20 2 0 0 0 0 20 12 1 0 0 0 0 21 10 1 0 0 0 0 22 17 2 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 25 19 1 0 0 0 0 26 16 1 0 0 0 0 27 16 2 0 0 0 0 28 24 1 0 0 0 0 29 21 1 0 0 0 0 30 25 1 0 0 0 0 31 27 1 0 0 0 0 32 26 2 0 0 0 0 33 31 2 0 0 0 0 6 7 1 0 0 0 0 5 3 1 0 0 0 0 32 33 1 0 0 0 0 24 22 1 0 0 0 0 15 19 1 0 0 0 0 M END > (P7111630374) P7111630374 > (P7111630374) 0 > (P7111630374) 6 > (P7111630374) 5 > (P7111630374) 4.300000000000000e+000 > (P7111630374) 5 > (P7111630374) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 0.7542 2.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7542 1.0208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 1.5208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7542 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.5208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2500 0.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2500 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1125 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -3.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 4 2 0 0 0 0 15 6 1 0 0 0 0 16 3 1 0 0 0 0 17 19 2 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 17 1 0 0 0 0 21 15 1 0 0 0 0 22 15 2 0 0 0 0 23 16 1 0 0 0 0 24 16 1 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 25 2 0 0 0 0 7 6 1 0 0 0 0 5 3 1 0 0 0 0 26 27 1 0 0 0 0 13 17 1 0 0 0 0 M END > (P7111630397) P7111630397 > (P7111630397) 0 > (P7111630397) 4 > (P7111630397) 3 > (P7111630397) 4.400000000000000e+000 > (P7111630397) 4 > (P7111630397) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 0.6792 0.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 0.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1042 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 0.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 -0.2875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.9875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 6 1 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 19 11 2 0 0 0 0 20 9 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 15 1 0 0 0 0 24 15 2 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 24 1 0 0 0 0 28 23 2 0 0 0 0 29 27 2 0 0 0 0 3 2 1 0 0 0 0 8 6 1 0 0 0 0 19 25 1 0 0 0 0 18 17 2 0 0 0 0 29 28 1 0 0 0 0 M END > (P7111630435) P7111630435 > (P7111630435) 0 > (P7111630435) 5 > (P7111630435) 4 > (P7111630435) 3.700000000000000e+000 > (P7111630435) 5 > (P7111630435) 8.729999999999998e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 0.6667 0.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 0.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1000 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 0.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 -0.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.9792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.9708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 5 2 0 0 0 0 14 4 2 0 0 0 0 15 6 1 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 19 11 2 0 0 0 0 20 9 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 15 1 0 0 0 0 24 15 2 0 0 0 0 25 22 2 0 0 0 0 26 24 1 0 0 0 0 27 23 2 0 0 0 0 28 26 2 0 0 0 0 2 3 1 0 0 0 0 6 8 1 0 0 0 0 19 25 1 0 0 0 0 18 17 2 0 0 0 0 27 28 1 0 0 0 0 M END > (P7111630440) P7111630440 > (P7111630440) 0 > (P7111630440) 4 > (P7111630440) 3 > (P7111630440) 4.400000000000000e+000 > (P7111630440) 5 > (P7111630440) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 -0.8208 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 0.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6792 0.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1042 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 0.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 -0.2875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.9875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 6 1 0 0 0 0 15 9 2 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 18 1 0 0 0 0 25 19 2 0 0 0 0 26 22 2 0 0 0 0 27 25 1 0 0 0 0 8 6 1 0 0 0 0 4 3 1 0 0 0 0 16 17 2 0 0 0 0 24 27 2 0 0 0 0 26 23 1 0 0 0 0 M END > (P7111630446) P7111630446 > (P7111630446) 0 > (P7111630446) 4 > (P7111630446) 3 > (P7111630446) 3.700000000000000e+000 > (P7111630446) 5 > (P7111630446) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 -0.8625 -0.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8625 0.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6167 0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7833 -0.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0542 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -2.0167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 5 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 19 2 0 0 0 0 24 18 1 0 0 0 0 25 23 1 0 0 0 0 8 4 1 0 0 0 0 7 5 1 0 0 0 0 15 16 2 0 0 0 0 24 25 2 0 0 0 0 M END > (P7111630447) P7111630447 > (P7111630447) 0 > (P7111630447) 4 > (P7111630447) 5 > (P7111630447) 3.500000000000000e+000 > (P7111630447) 4 > (P7111630447) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 0.9667 0.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0292 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2500 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 -0.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -2.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 3 1 0 0 0 0 15 9 2 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 22 18 1 0 0 0 0 23 19 2 0 0 0 0 24 23 1 0 0 0 0 6 8 1 0 0 0 0 3 5 1 0 0 0 0 17 16 2 0 0 0 0 24 22 2 0 0 0 0 M END > (P7111630448) P7111630448 > (P7111630448) 0 > (P7111630448) 4 > (P7111630448) 3 > (P7111630448) 2.900000000000000e+000 > (P7111630448) 4 > (P7111630448) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 23 26 0 0 0 0 0 0 0 0999 V2000 0.9667 0.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2500 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0292 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 -0.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2500 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -2.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 5 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 16 15 2 0 0 0 0 23 21 2 0 0 0 0 M END > (P7111630449) P7111630449 > (P7111630449) 0 > (P7111630449) 4 > (P7111630449) 3 > (P7111630449) 2.500000000000000e+000 > (P7111630449) 4 > (P7111630449) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 22 25 0 0 0 0 0 0 0 0999 V2000 0.9667 0.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2500 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0292 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 -0.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2500 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -2.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 5 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 16 15 2 0 0 0 0 22 20 2 0 0 0 0 M END > (P7111630450) P7111630450 > (P7111630450) 0 > (P7111630450) 4 > (P7111630450) 2 > (P7111630450) 2.200000000000000e+000 > (P7111630450) 4 > (P7111630450) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 21 24 0 0 0 0 0 0 0 0999 V2000 0.9667 0.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1000 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 -0.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2500 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -2.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 5 2 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 8 7 1 0 0 0 0 6 3 1 0 0 0 0 15 16 2 0 0 0 0 19 21 2 0 0 0 0 M END > (P7111630451) P7111630451 > (P7111630451) 1 > (P7111630451) 4 > (P7111630451) 2 > (P7111630451) 2.000000000000000e+000 > (P7111630451) 4 > (P7111630451) 8.690000000000001e+001 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 1.7375 0.8708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0125 0.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0125 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1000 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.8708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1208 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1208 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 10 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 15 1 0 0 0 0 20 9 1 0 0 0 0 21 20 2 0 0 0 0 22 13 2 0 0 0 0 23 13 1 0 0 0 0 24 21 1 0 0 0 0 25 19 1 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 2 3 1 0 0 0 0 6 8 1 0 0 0 0 19 24 2 0 0 0 0 18 17 2 0 0 0 0 27 28 2 0 0 0 0 M END > (P7111630472) P7111630472 > (P7111630472) 0 > (P7111630472) 4 > (P7111630472) 3 > (P7111630472) 3.700000000000000e+000 > (P7111630472) 5 > (P7111630472) 6.300000000000000e+001 $$$$ -ISIS- 08092202382D 23 26 0 0 0 0 0 0 0 0999 V2000 2.3667 0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 1.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4292 1.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 1.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 1.7000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 8 2 0 0 0 0 12 6 1 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 17 1 0 0 0 0 16 13 1 0 0 0 0 17 14 2 0 0 0 0 18 15 1 0 0 0 0 19 12 2 0 0 0 0 20 12 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 7 8 1 0 0 0 0 5 3 1 0 0 0 0 23 22 2 0 0 0 0 16 15 2 0 0 0 0 M END > (P7111630481) P7111630481 > (P7111630481) 1 > (P7111630481) 4 > (P7111630481) 2 > (P7111630481) 2.800000000000000e+000 > (P7111630481) 4 > (P7111630481) 5.859999999999999e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 2.3792 0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 1.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 1.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4375 1.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 0.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8500 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 1.7000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 3 2 0 0 0 0 11 6 2 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 4 1 0 0 0 0 16 17 1 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 16 1 0 0 0 0 20 12 1 0 0 0 0 21 12 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 22 2 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 23 24 1 0 0 0 0 16 18 2 0 0 0 0 M END > (P7111630482) P7111630482 > (P7111630482) 0 > (P7111630482) 4 > (P7111630482) 2 > (P7111630482) 3.000000000000000e+000 > (P7111630482) 4 > (P7111630482) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 0.4167 0.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4167 1.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1333 0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1500 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 3 2 0 0 0 0 11 6 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 4 1 0 0 0 0 16 18 2 0 0 0 0 17 13 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 12 1 0 0 0 0 21 12 2 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 21 1 0 0 0 0 26 20 2 0 0 0 0 27 25 2 0 0 0 0 5 7 1 0 0 0 0 4 6 1 0 0 0 0 27 26 1 0 0 0 0 16 17 1 0 0 0 0 M END > (P7111630485) P7111630485 > (P7111630485) 0 > (P7111630485) 4 > (P7111630485) 5 > (P7111630485) 4.300000000000000e+000 > (P7111630485) 4 > (P7111630485) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 2.0375 2.0208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0375 0.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 1.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7208 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 3.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 1.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 1.9833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 10 1 0 0 0 0 17 10 2 0 0 0 0 18 20 2 0 0 0 0 19 14 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 16 2 0 0 0 0 23 21 2 0 0 0 0 24 18 1 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 23 1 0 0 0 0 6 8 1 0 0 0 0 3 5 1 0 0 0 0 19 18 1 0 0 0 0 23 22 1 0 0 0 0 M END > (P7111630515) P7111630515 > (P7111630515) 0 > (P7111630515) 4 > (P7111630515) 3 > (P7111630515) 4.200000000000000e+000 > (P7111630515) 4 > (P7111630515) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 1.8292 1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8292 2.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3375 1.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 0.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3167 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 2.0708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 19 14 1 0 0 0 0 20 13 2 0 0 0 0 21 16 1 0 0 0 0 22 15 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 24 1 0 0 0 0 7 8 1 0 0 0 0 3 5 1 0 0 0 0 18 22 1 0 0 0 0 17 20 1 0 0 0 0 M END > (P7111630533) P7111630533 > (P7111630533) 1 > (P7111630533) 5 > (P7111630533) 3 > (P7111630533) 2.800000000000000e+000 > (P7111630533) 4 > (P7111630533) 6.790000000000001e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 1.8292 2.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8292 1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3167 1.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7542 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 1.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8875 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 0.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6333 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 1.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0625 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 2.0708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 15 2 0 0 0 0 21 14 1 0 0 0 0 22 17 2 0 0 0 0 23 16 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 25 1 0 0 0 0 6 8 1 0 0 0 0 3 5 1 0 0 0 0 21 18 2 0 0 0 0 19 23 2 0 0 0 0 M END > (P7111630536) P7111630536 > (P7111630536) 0 > (P7111630536) 5 > (P7111630536) 4 > (P7111630536) 3.700000000000000e+000 > (P7111630536) 4 > (P7111630536) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.2458 1.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2458 0.4333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1042 0.8708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 0.8708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0833 0.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0833 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 1.0333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 9 2 0 0 0 0 14 5 2 0 0 0 0 15 4 2 0 0 0 0 16 10 2 0 0 0 0 17 12 2 0 0 0 0 18 12 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 22 2 0 0 0 0 22 13 1 0 0 0 0 23 10 1 0 0 0 0 24 25 1 0 0 0 0 25 18 2 0 0 0 0 26 17 1 0 0 0 0 27 19 1 0 0 0 0 28 20 2 0 0 0 0 29 28 1 0 0 0 0 30 24 1 0 0 0 0 31 21 1 0 0 0 0 32 29 1 0 0 0 0 33 23 1 0 0 0 0 34 31 1 0 0 0 0 7 6 1 0 0 0 0 3 5 1 0 0 0 0 26 24 2 0 0 0 0 27 29 2 0 0 0 0 16 21 1 0 0 0 0 M END > (P7111630641) P7111630641 > (P7111630641) 0 > (P7111630641) 6 > (P7111630641) 5 > (P7111630641) 5.000000000000000e+000 > (P7111630641) 5 > (P7111630641) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 2.0292 2.0208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0292 0.9458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6792 1.4708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0500 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.4708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 0.5708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 1.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2958 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.6708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 5 2 0 0 0 0 14 4 2 0 0 0 0 15 10 2 0 0 0 0 16 3 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 20 2 0 0 0 0 20 12 1 0 0 0 0 21 10 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 24 17 2 0 0 0 0 25 22 1 0 0 0 0 26 19 1 0 0 0 0 27 16 1 0 0 0 0 28 16 1 0 0 0 0 29 21 1 0 0 0 0 30 26 1 0 0 0 0 7 6 1 0 0 0 0 5 3 1 0 0 0 0 22 24 1 0 0 0 0 19 15 1 0 0 0 0 M END > (P7111630653) P7111630653 > (P7111630653) 0 > (P7111630653) 6 > (P7111630653) 5 > (P7111630653) 3.700000000000000e+000 > (P7111630653) 4 > (P7111630653) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 23 26 0 0 0 0 0 0 0 0999 V2000 1.9875 0.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9875 1.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.9708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9542 0.9708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7542 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2167 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -2.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 1.4958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 3 2 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 5 1 0 0 0 0 20 22 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 20 1 0 0 0 0 4 8 1 0 0 0 0 7 5 1 0 0 0 0 16 15 2 0 0 0 0 20 21 2 0 0 0 0 M END > (P7111630716) P7111630716 > (P7111630716) 0 > (P7111630716) 4 > (P7111630716) 2 > (P7111630716) 2.800000000000000e+000 > (P7111630716) 4 > (P7111630716) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.3500 0.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3500 1.0208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 0.6333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.6333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1833 -0.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1833 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -1.5667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1708 0.9833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 11 2 0 0 0 0 19 11 1 0 0 0 0 20 10 2 0 0 0 0 21 10 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 18 1 0 0 0 0 25 19 2 0 0 0 0 26 21 2 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 29 1 0 0 0 0 6 8 1 0 0 0 0 5 3 1 0 0 0 0 16 17 2 0 0 0 0 24 22 2 0 0 0 0 23 27 2 0 0 0 0 M END > (P7111630728) P7111630728 > (P7111630728) 0 > (P7111630728) 5 > (P7111630728) 4 > (P7111630728) 4.400000000000000e+000 > (P7111630728) 5 > (P7111630728) 8.729999999999998e+001 $$$$ -ISIS- 08092202382D 22 25 0 0 0 0 0 0 0 0999 V2000 2.5167 0.2708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5167 1.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4667 0.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2375 -0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8042 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 0.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 3.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 21 18 2 0 0 0 0 22 19 1 0 0 0 0 7 8 1 0 0 0 0 6 3 1 0 0 0 0 15 16 2 0 0 0 0 20 19 2 0 0 0 0 M END > (P7111630739) P7111630739 > (P7111630739) 1 > (P7111630739) 4 > (P7111630739) 2 > (P7111630739) 2.100000000000000e+000 > (P7111630739) 4 > (P7111630739) 7.180000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 -0.3208 0.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 1.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0000 0.6208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 0.6208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1208 -0.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1208 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 0.7833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 11 2 0 0 0 0 19 11 1 0 0 0 0 20 10 1 0 0 0 0 21 10 2 0 0 0 0 22 24 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 2 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 28 22 1 0 0 0 0 29 27 1 0 0 0 0 6 8 1 0 0 0 0 5 3 1 0 0 0 0 16 17 2 0 0 0 0 23 22 2 0 0 0 0 27 25 1 0 0 0 0 M END > (P7111630751) P7111630751 > (P7111630751) 0 > (P7111630751) 4 > (P7111630751) 3 > (P7111630751) 4.300000000000000e+000 > (P7111630751) 5 > (P7111630751) 6.300000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 1.0000 0.3458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0000 1.7208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0625 1.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3000 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2958 -0.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3000 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 9 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 5 1 0 0 0 0 19 9 1 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 23 22 1 0 0 0 0 24 19 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 8 3 1 0 0 0 0 5 7 1 0 0 0 0 16 17 2 0 0 0 0 26 21 2 0 0 0 0 M END > (P7111630763) P7111630763 > (P7111630763) 0 > (P7111630763) 4 > (P7111630763) 5 > (P7111630763) 3.400000000000000e+000 > (P7111630763) 4 > (P7111630763) 6.300000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 -0.5708 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5708 1.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 0.7958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.1458 0.7958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4042 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5500 1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 5 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 9 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 22 1 0 0 0 0 24 9 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 23 1 0 0 0 0 28 24 2 0 0 0 0 29 28 1 0 0 0 0 4 8 1 0 0 0 0 3 5 1 0 0 0 0 17 18 2 0 0 0 0 29 26 2 0 0 0 0 21 23 2 0 0 0 0 M END > (P7111630771) P7111630771 > (P7111630771) 0 > (P7111630771) 4 > (P7111630771) 3 > (P7111630771) 4.200000000000000e+000 > (P7111630771) 5 > (P7111630771) 6.300000000000000e+001 $$$$ -ISIS- 08092202382D 23 26 0 0 0 0 0 0 0 0999 V2000 1.8000 0.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8000 1.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2458 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0875 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 1.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5375 -0.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0875 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -2.4167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 3.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 16 9 2 0 0 0 0 17 14 1 0 0 0 0 18 5 1 0 0 0 0 19 9 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 3 8 1 0 0 0 0 5 7 1 0 0 0 0 15 17 2 0 0 0 0 23 21 2 0 0 0 0 M END > (P7111630790) P7111630790 > (P7111630790) 0 > (P7111630790) 4 > (P7111630790) 2 > (P7111630790) 2.600000000000000e+000 > (P7111630790) 4 > (P7111630790) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.9000 0.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 1.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5667 0.7333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3625 0.7333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0042 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -0.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8125 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -1.7042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 6 2 0 0 0 0 14 5 2 0 0 0 0 15 10 2 0 0 0 0 16 12 1 0 0 0 0 17 9 2 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 22 1 0 0 0 0 22 20 2 0 0 0 0 23 19 1 0 0 0 0 24 9 1 0 0 0 0 25 21 1 0 0 0 0 26 17 1 0 0 0 0 27 17 1 0 0 0 0 28 25 1 0 0 0 0 29 24 2 0 0 0 0 30 29 1 0 0 0 0 8 4 1 0 0 0 0 5 3 1 0 0 0 0 16 18 2 0 0 0 0 21 23 2 0 0 0 0 30 27 2 0 0 0 0 M END > (P7111630803) P7111630803 > (P7111630803) 0 > (P7111630803) 5 > (P7111630803) 4 > (P7111630803) 4.200000000000000e+000 > (P7111630803) 5 > (P7111630803) 8.729999999999998e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 1.2542 1.1625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2542 2.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2000 1.6833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.6833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1958 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 9 2 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 19 2 0 0 0 0 18 15 2 0 0 0 0 19 16 1 0 0 0 0 20 9 1 0 0 0 0 21 17 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 21 1 0 0 0 0 25 14 1 0 0 0 0 26 25 1 0 0 0 0 27 20 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 18 17 1 0 0 0 0 29 23 2 0 0 0 0 M END > (P7111630865) P7111630865 > (P7111630865) 0 > (P7111630865) 5 > (P7111630865) 6 > (P7111630865) 4.100000000000000e+000 > (P7111630865) 4 > (P7111630865) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 0.5542 1.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 2.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 1.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 1.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8458 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.8833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 3.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 9 2 0 0 0 0 15 10 2 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 14 1 0 0 0 0 19 21 1 0 0 0 0 20 16 1 0 0 0 0 21 17 2 0 0 0 0 22 9 1 0 0 0 0 23 10 1 0 0 0 0 24 19 1 0 0 0 0 25 15 1 0 0 0 0 26 14 1 0 0 0 0 27 15 1 0 0 0 0 28 24 1 0 0 0 0 29 23 2 0 0 0 0 30 22 2 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 2 3 1 0 0 0 0 7 6 1 0 0 0 0 26 32 2 0 0 0 0 19 20 2 0 0 0 0 31 27 2 0 0 0 0 M END > (P7111630870) P7111630870 > (P7111630870) 0 > (P7111630870) 5 > (P7111630870) 4 > (P7111630870) 5.000000000000000e+000 > (P7111630870) 5 > (P7111630870) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 0.5542 1.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 2.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 1.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3708 1.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.8833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 3.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.0458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 5 2 0 0 0 0 15 10 2 0 0 0 0 16 12 2 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 9 1 0 0 0 0 23 18 1 0 0 0 0 24 10 1 0 0 0 0 25 19 1 0 0 0 0 26 22 2 0 0 0 0 27 15 1 0 0 0 0 28 15 1 0 0 0 0 29 26 1 0 0 0 0 30 25 1 0 0 0 0 31 24 2 0 0 0 0 32 31 1 0 0 0 0 2 3 1 0 0 0 0 7 4 1 0 0 0 0 18 29 2 0 0 0 0 19 21 2 0 0 0 0 32 28 2 0 0 0 0 M END > (P7111630872) P7111630872 > (P7111630872) 0 > (P7111630872) 5 > (P7111630872) 4 > (P7111630872) 5.000000000000000e+000 > (P7111630872) 5 > (P7111630872) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 0.5792 1.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 2.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 1.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3833 1.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 0.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8208 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 5 2 0 0 0 0 15 6 2 0 0 0 0 16 12 2 0 0 0 0 17 10 2 0 0 0 0 18 11 2 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 21 12 1 0 0 0 0 22 17 1 0 0 0 0 23 10 1 0 0 0 0 24 11 1 0 0 0 0 25 19 1 0 0 0 0 26 23 2 0 0 0 0 27 18 1 0 0 0 0 28 18 1 0 0 0 0 29 26 1 0 0 0 0 30 22 1 0 0 0 0 31 21 1 0 0 0 0 32 25 1 0 0 0 0 33 24 2 0 0 0 0 34 33 1 0 0 0 0 3 2 1 0 0 0 0 4 8 1 0 0 0 0 29 22 2 0 0 0 0 16 19 1 0 0 0 0 34 28 2 0 0 0 0 M END > (P7111631003) P7111631003 > (P7111631003) 0 > (P7111631003) 6 > (P7111631003) 5 > (P7111631003) 4.800000000000000e+000 > (P7111631003) 5 > (P7111631003) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.9000 2.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 1.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5792 1.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3833 1.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 0.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8208 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 1.4833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 13 9 2 0 0 0 0 14 6 2 0 0 0 0 15 5 2 0 0 0 0 16 11 2 0 0 0 0 17 10 2 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 21 2 0 0 0 0 21 13 1 0 0 0 0 22 11 1 0 0 0 0 23 24 1 0 0 0 0 24 19 2 0 0 0 0 25 18 1 0 0 0 0 26 23 1 0 0 0 0 27 10 1 0 0 0 0 28 20 1 0 0 0 0 29 17 1 0 0 0 0 30 17 1 0 0 0 0 31 22 1 0 0 0 0 32 28 1 0 0 0 0 33 27 2 0 0 0 0 34 33 1 0 0 0 0 7 4 1 0 0 0 0 3 6 1 0 0 0 0 25 23 2 0 0 0 0 30 34 2 0 0 0 0 20 16 1 0 0 0 0 M END > (P7111631006) P7111631006 > (P7111631006) 0 > (P7111631006) 6 > (P7111631006) 5 > (P7111631006) 5.000000000000000e+000 > (P7111631006) 5 > (P7111631006) 6.830000000000000e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 -0.7958 -0.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7958 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2958 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 2.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7958 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 10 2 0 0 0 0 14 7 1 0 0 0 0 15 18 1 0 0 0 0 16 11 1 0 0 0 0 17 8 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 25 1 0 0 0 0 21 14 2 0 0 0 0 22 14 1 0 0 0 0 23 16 1 0 0 0 0 24 16 2 0 0 0 0 25 19 2 0 0 0 0 26 22 2 0 0 0 0 27 21 1 0 0 0 0 28 24 1 0 0 0 0 29 23 2 0 0 0 0 30 28 2 0 0 0 0 31 26 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 15 20 2 0 0 0 0 27 31 2 0 0 0 0 30 29 1 0 0 0 0 M END > (P7111640008) P7111640008 > (P7111640008) 2 > (P7111640008) 5 > (P7111640008) 4 > (P7111640008) 2.800000000000000e+000 > (P7111640008) 5 > (P7111640008) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 -0.2875 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.7792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3000 -0.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 2.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 5 2 0 0 0 0 15 13 2 0 0 0 0 16 18 1 0 0 0 0 17 6 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 15 1 0 0 0 0 21 23 1 0 0 0 0 22 13 1 0 0 0 0 23 19 2 0 0 0 0 24 25 1 0 0 0 0 25 22 2 0 0 0 0 2 3 1 0 0 0 0 11 8 1 0 0 0 0 21 16 2 0 0 0 0 24 20 2 0 0 0 0 M END > (P7111640009) P7111640009 > (P7111640009) 2 > (P7111640009) 6 > (P7111640009) 3 > (P7111640009) 5.000000000000000e-001 > (P7111640009) 4 > (P7111640009) 9.760000000000002e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 0.9042 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0875 -0.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7292 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 2.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 10 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 13 2 0 0 0 0 16 11 1 0 0 0 0 17 5 2 0 0 0 0 18 16 2 0 0 0 0 19 21 2 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 6 1 0 0 0 0 23 19 1 0 0 0 0 24 18 1 0 0 0 0 25 16 1 0 0 0 0 26 27 1 0 0 0 0 27 25 2 0 0 0 0 3 2 1 0 0 0 0 12 8 1 0 0 0 0 15 19 1 0 0 0 0 26 24 2 0 0 0 0 M END > (P7111640037) P7111640037 > (P7111640037) 2 > (P7111640037) 5 > (P7111640037) 3 > (P7111640037) 3.000000000000000e+000 > (P7111640037) 4 > (P7111640037) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 0.9042 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0875 -0.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 2.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 12 2 0 0 0 0 16 6 2 0 0 0 0 17 24 1 0 0 0 0 18 21 2 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 5 1 0 0 0 0 23 18 1 0 0 0 0 24 20 2 0 0 0 0 25 27 1 0 0 0 0 26 20 1 0 0 0 0 27 26 2 0 0 0 0 2 3 1 0 0 0 0 8 11 1 0 0 0 0 15 18 1 0 0 0 0 25 17 2 0 0 0 0 M END > (P7111640039) P7111640039 > (P7111640039) 2 > (P7111640039) 5 > (P7111640039) 3 > (P7111640039) 2.500000000000000e+000 > (P7111640039) 4 > (P7111640039) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 -0.7333 -1.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7333 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -0.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1708 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 2.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 7 1 0 0 0 0 18 25 1 0 0 0 0 19 22 2 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 14 1 0 0 0 0 23 8 1 0 0 0 0 24 19 1 0 0 0 0 25 21 2 0 0 0 0 26 30 1 0 0 0 0 27 17 2 0 0 0 0 28 17 1 0 0 0 0 29 21 1 0 0 0 0 30 29 2 0 0 0 0 31 28 2 0 0 0 0 32 27 1 0 0 0 0 33 31 1 0 0 0 0 3 7 1 0 0 0 0 9 8 1 0 0 0 0 15 19 1 0 0 0 0 33 32 2 0 0 0 0 26 18 2 0 0 0 0 M END > (P7111640040) P7111640040 > (P7111640040) 2 > (P7111640040) 5 > (P7111640040) 4 > (P7111640040) 4.100000000000000e+000 > (P7111640040) 5 > (P7111640040) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 -1.0958 -1.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0958 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3000 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -2.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.7708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 11 1 0 0 0 0 14 8 2 0 0 0 0 15 6 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 12 2 0 0 0 0 19 22 2 0 0 0 0 20 9 1 0 0 0 0 21 17 2 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 16 1 0 0 0 0 25 13 1 0 0 0 0 26 15 1 0 0 0 0 27 15 2 0 0 0 0 28 29 1 0 0 0 0 29 25 2 0 0 0 0 30 27 1 0 0 0 0 31 26 2 0 0 0 0 32 30 2 0 0 0 0 3 6 1 0 0 0 0 10 9 1 0 0 0 0 21 19 1 0 0 0 0 32 31 1 0 0 0 0 28 24 2 0 0 0 0 M END > (P7111640047) P7111640047 > (P7111640047) 2 > (P7111640047) 5 > (P7111640047) 4 > (P7111640047) 4.100000000000000e+000 > (P7111640047) 5 > (P7111640047) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 0.4792 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -1.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3000 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.7708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 4 2 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 21 2 0 0 0 0 19 6 1 0 0 0 0 20 16 2 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 15 1 0 0 0 0 24 13 1 0 0 0 0 25 26 1 0 0 0 0 26 24 2 0 0 0 0 3 2 1 0 0 0 0 18 20 1 0 0 0 0 11 8 1 0 0 0 0 23 25 2 0 0 0 0 M END > (P7111640048) P7111640048 > (P7111640048) 2 > (P7111640048) 5 > (P7111640048) 3 > (P7111640048) 2.400000000000000e+000 > (P7111640048) 4 > (P7111640048) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.7833 -1.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -2.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2833 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 8 2 0 0 0 0 15 7 1 0 0 0 0 16 11 2 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 9 1 0 0 0 0 20 18 1 0 0 0 0 21 11 1 0 0 0 0 22 21 2 0 0 0 0 23 17 2 0 0 0 0 24 13 2 0 0 0 0 25 15 1 0 0 0 0 26 15 2 0 0 0 0 27 22 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 30 26 1 0 0 0 0 31 25 2 0 0 0 0 32 30 2 0 0 0 0 3 7 1 0 0 0 0 10 9 1 0 0 0 0 27 18 2 0 0 0 0 32 31 1 0 0 0 0 23 28 1 0 0 0 0 M END > (P7111640065) P7111640065 > (P7111640065) 2 > (P7111640065) 5 > (P7111640065) 4 > (P7111640065) 4.100000000000000e+000 > (P7111640065) 5 > (P7111640065) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 -2.7208 -0.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.7208 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9833 -2.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -2.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 -1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 3.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 8 2 0 0 0 0 14 17 1 0 0 0 0 15 11 1 0 0 0 0 16 6 1 0 0 0 0 17 12 2 0 0 0 0 18 12 1 0 0 0 0 19 22 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 18 2 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 5 10 1 0 0 0 0 7 6 1 0 0 0 0 14 19 2 0 0 0 0 23 25 2 0 0 0 0 M END > (P7111640143) P7111640143 > (P7111640143) 2 > (P7111640143) 6 > (P7111640143) 3 > (P7111640143) 5.000000000000000e-001 > (P7111640143) 4 > (P7111640143) 9.760000000000002e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 -3.0958 -1.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.0958 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3625 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -3.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3625 -0.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 -1.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 2.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 11 1 0 0 0 0 14 6 2 0 0 0 0 15 13 2 0 0 0 0 16 18 1 0 0 0 0 17 7 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 15 1 0 0 0 0 21 23 1 0 0 0 0 22 13 1 0 0 0 0 23 19 2 0 0 0 0 24 25 1 0 0 0 0 25 22 2 0 0 0 0 5 10 1 0 0 0 0 8 7 1 0 0 0 0 21 16 2 0 0 0 0 20 24 2 0 0 0 0 M END > (P7111640144) P7111640144 > (P7111640144) 2 > (P7111640144) 7 > (P7111640144) 3 > (P7111640144) -1.000000000000000e-001 > (P7111640144) 4 > (P7111640144) 1.105000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.5833 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5833 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6625 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -2.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 3.4333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 8 1 0 0 0 0 14 11 2 0 0 0 0 15 12 2 0 0 0 0 16 8 2 0 0 0 0 17 20 2 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 6 1 0 0 0 0 22 17 1 0 0 0 0 23 19 2 0 0 0 0 24 19 1 0 0 0 0 25 24 2 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 5 10 1 0 0 0 0 7 6 1 0 0 0 0 17 15 1 0 0 0 0 26 27 2 0 0 0 0 M END > (P7111640155) P7111640155 > (P7111640155) 2 > (P7111640155) 5 > (P7111640155) 3 > (P7111640155) 3.000000000000000e+000 > (P7111640155) 4 > (P7111640155) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.5833 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5833 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6625 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -2.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 3.4333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 6 2 0 0 0 0 18 16 2 0 0 0 0 19 21 2 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 7 1 0 0 0 0 23 19 1 0 0 0 0 24 18 1 0 0 0 0 25 16 1 0 0 0 0 26 27 1 0 0 0 0 27 25 2 0 0 0 0 5 10 1 0 0 0 0 8 7 1 0 0 0 0 19 15 1 0 0 0 0 24 26 2 0 0 0 0 M END > (P7111640156) P7111640156 > (P7111640156) 2 > (P7111640156) 6 > (P7111640156) 3 > (P7111640156) 2.400000000000000e+000 > (P7111640156) 4 > (P7111640156) 9.760000000000002e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 -2.9500 -1.6542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.9500 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -1.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0000 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -3.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 3.3458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 8 2 0 0 0 0 14 12 1 0 0 0 0 15 12 2 0 0 0 0 16 11 1 0 0 0 0 17 20 2 0 0 0 0 18 6 1 0 0 0 0 19 14 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 16 2 0 0 0 0 23 16 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 5 10 1 0 0 0 0 7 6 1 0 0 0 0 17 19 1 0 0 0 0 26 25 2 0 0 0 0 M END > (P7111640166) P7111640166 > (P7111640166) 2 > (P7111640166) 5 > (P7111640166) 3 > (P7111640166) 1.800000000000000e+000 > (P7111640166) 4 > (P7111640166) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 -2.9500 -1.6542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.9500 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -1.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0000 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -3.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 3.3458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 11 1 0 0 0 0 14 6 2 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 20 2 0 0 0 0 19 7 1 0 0 0 0 20 17 1 0 0 0 0 21 16 2 0 0 0 0 22 18 1 0 0 0 0 23 15 1 0 0 0 0 24 13 1 0 0 0 0 25 26 1 0 0 0 0 26 24 2 0 0 0 0 5 10 1 0 0 0 0 8 7 1 0 0 0 0 18 21 1 0 0 0 0 25 23 2 0 0 0 0 M END > (P7111640167) P7111640167 > (P7111640167) 2 > (P7111640167) 6 > (P7111640167) 3 > (P7111640167) 1.200000000000000e+000 > (P7111640167) 4 > (P7111640167) 9.760000000000002e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.5708 -1.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5708 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6458 -3.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -3.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 3.4208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 8 2 0 0 0 0 14 23 1 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 21 1 0 0 0 0 19 6 1 0 0 0 0 20 15 1 0 0 0 0 21 16 2 0 0 0 0 22 18 1 0 0 0 0 23 17 2 0 0 0 0 24 26 1 0 0 0 0 25 17 1 0 0 0 0 26 25 2 0 0 0 0 5 10 1 0 0 0 0 7 6 1 0 0 0 0 20 18 2 0 0 0 0 24 14 2 0 0 0 0 M END > (P7111640175) P7111640175 > (P7111640175) 2 > (P7111640175) 6 > (P7111640175) 3 > (P7111640175) 1.200000000000000e+000 > (P7111640175) 4 > (P7111640175) 9.760000000000002e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4958 -1.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4958 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -1.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5000 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -1.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -2.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 8 2 0 0 0 0 16 24 1 0 0 0 0 17 13 2 0 0 0 0 18 14 1 0 0 0 0 19 12 1 0 0 0 0 20 6 1 0 0 0 0 21 18 2 0 0 0 0 22 13 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 29 1 0 0 0 0 26 19 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 26 2 0 0 0 0 10 5 1 0 0 0 0 6 7 1 0 0 0 0 17 21 1 0 0 0 0 16 25 2 0 0 0 0 M END > (P7111640186) P7111640186 > (P7111640186) 2 > (P7111640186) 8 > (P7111640186) 5 > (P7111640186) 5.000000000000000e-001 > (P7111640186) 4 > (P7111640186) 1.161000000000000e+002 $$$$ -ISIS- 08092202382D 34 39 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6333 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 11 1 0 0 0 0 19 7 1 0 0 0 0 20 9 2 0 0 0 0 21 17 1 0 0 0 0 22 13 2 0 0 0 0 23 17 2 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 26 14 1 0 0 0 0 27 16 1 0 0 0 0 28 19 2 0 0 0 0 29 19 1 0 0 0 0 30 31 1 0 0 0 0 31 26 2 0 0 0 0 32 29 2 0 0 0 0 33 28 1 0 0 0 0 34 32 1 0 0 0 0 7 5 1 0 0 0 0 13 18 1 0 0 0 0 16 12 1 0 0 0 0 34 33 2 0 0 0 0 24 25 2 0 0 0 0 27 30 2 0 0 0 0 M END > (P7112410424) P7112410424 > (P7112410424) 0 > (P7112410424) 5 > (P7112410424) 5 > (P7112410424) 4.600000000000000e+000 > (P7112410424) 6 > (P7112410424) 1.029000000000000e+002 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 8 1 0 0 0 0 15 6 1 0 0 0 0 16 13 1 0 0 0 0 17 10 2 0 0 0 0 18 9 2 0 0 0 0 19 12 1 0 0 0 0 20 13 2 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 20 1 0 0 0 0 24 15 1 0 0 0 0 25 15 2 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 28 26 2 0 0 0 0 5 6 1 0 0 0 0 14 9 1 0 0 0 0 19 22 2 0 0 0 0 28 27 1 0 0 0 0 23 21 2 0 0 0 0 M END > (P7112410425) P7112410425 > (P7112410425) 0 > (P7112410425) 3 > (P7112410425) 5 > (P7112410425) 4.600000000000000e+000 > (P7112410425) 5 > (P7112410425) 1.048000000000000e+002 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 6 1 0 0 0 0 15 10 2 0 0 0 0 16 9 2 0 0 0 0 17 11 1 0 0 0 0 18 15 1 0 0 0 0 19 20 1 0 0 0 0 20 12 1 0 0 0 0 21 19 1 0 0 0 0 22 14 1 0 0 0 0 23 14 2 0 0 0 0 24 20 1 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 22 2 0 0 0 0 28 26 2 0 0 0 0 6 5 1 0 0 0 0 9 13 1 0 0 0 0 18 17 2 0 0 0 0 27 28 1 0 0 0 0 21 25 1 0 0 0 0 M END > (P7112410426) P7112410426 > (P7112410426) 0 > (P7112410426) 4 > (P7112410426) 5 > (P7112410426) 4.100000000000000e+000 > (P7112410426) 5 > (P7112410426) 1.009000000000000e+002 $$$$ -ISIS- 08092202382D 34 39 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6333 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 6 1 0 0 0 0 17 11 1 0 0 0 0 18 7 1 0 0 0 0 19 9 2 0 0 0 0 20 13 2 0 0 0 0 21 22 1 0 0 0 0 22 16 1 0 0 0 0 23 14 1 0 0 0 0 24 15 1 0 0 0 0 25 21 1 0 0 0 0 26 18 2 0 0 0 0 27 18 1 0 0 0 0 28 22 1 0 0 0 0 29 28 1 0 0 0 0 30 31 1 0 0 0 0 31 23 2 0 0 0 0 32 27 2 0 0 0 0 33 26 1 0 0 0 0 34 32 1 0 0 0 0 7 5 1 0 0 0 0 13 17 1 0 0 0 0 12 15 1 0 0 0 0 33 34 2 0 0 0 0 25 29 1 0 0 0 0 30 24 2 0 0 0 0 M END > (P7112410427) P7112410427 > (P7112410427) 0 > (P7112410427) 6 > (P7112410427) 5 > (P7112410427) 4.200000000000000e+000 > (P7112410427) 6 > (P7112410427) 9.900000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4000 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 2.7333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 18 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 15 1 0 0 0 0 24 13 1 0 0 0 0 25 13 2 0 0 0 0 26 18 1 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 29 24 2 0 0 0 0 30 28 2 0 0 0 0 6 4 1 0 0 0 0 9 12 1 0 0 0 0 21 19 2 0 0 0 0 30 29 1 0 0 0 0 23 27 1 0 0 0 0 M END > (P7112410429) P7112410429 > (P7112410429) 0 > (P7112410429) 4 > (P7112410429) 5 > (P7112410429) 4.900000000000000e+000 > (P7112410429) 5 > (P7112410429) 7.270000000000000e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 2.7333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 23 1 0 0 0 0 16 10 1 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 20 1 0 0 0 0 20 18 2 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 23 16 2 0 0 0 0 24 28 1 0 0 0 0 25 13 1 0 0 0 0 26 13 2 0 0 0 0 27 16 1 0 0 0 0 28 27 2 0 0 0 0 29 26 1 0 0 0 0 30 25 2 0 0 0 0 31 29 2 0 0 0 0 6 4 1 0 0 0 0 9 12 1 0 0 0 0 21 19 2 0 0 0 0 31 30 1 0 0 0 0 15 24 2 0 0 0 0 M END > (P7112410430) P7112410430 > (P7112410430) 0 > (P7112410430) 4 > (P7112410430) 5 > (P7112410430) 4.900000000000000e+000 > (P7112410430) 5 > (P7112410430) 7.630000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 6 1 0 0 0 0 15 10 2 0 0 0 0 16 9 2 0 0 0 0 17 12 1 0 0 0 0 18 21 1 0 0 0 0 19 15 1 0 0 0 0 20 11 1 0 0 0 0 21 20 2 0 0 0 0 22 26 1 0 0 0 0 23 14 2 0 0 0 0 24 14 1 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 27 24 2 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 5 6 1 0 0 0 0 13 9 1 0 0 0 0 19 17 2 0 0 0 0 28 29 2 0 0 0 0 22 18 2 0 0 0 0 M END > (P7112410432) P7112410432 > (P7112410432) 0 > (P7112410432) 4 > (P7112410432) 5 > (P7112410432) 4.200000000000000e+000 > (P7112410432) 5 > (P7112410432) 1.046000000000000e+002 $$$$ -ISIS- 08092202382D 35 40 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6333 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 6 1 0 0 0 0 17 11 1 0 0 0 0 18 7 1 0 0 0 0 19 9 2 0 0 0 0 20 13 2 0 0 0 0 21 23 1 0 0 0 0 22 16 1 0 0 0 0 23 22 2 0 0 0 0 24 14 1 0 0 0 0 25 15 1 0 0 0 0 26 30 1 0 0 0 0 27 18 1 0 0 0 0 28 18 2 0 0 0 0 29 22 1 0 0 0 0 30 29 2 0 0 0 0 31 32 1 0 0 0 0 32 24 2 0 0 0 0 33 28 1 0 0 0 0 34 27 2 0 0 0 0 35 33 2 0 0 0 0 7 5 1 0 0 0 0 13 17 1 0 0 0 0 12 15 1 0 0 0 0 34 35 1 0 0 0 0 21 26 2 0 0 0 0 31 25 2 0 0 0 0 M END > (P7112410433) P7112410433 > (P7112410433) 0 > (P7112410433) 6 > (P7112410433) 5 > (P7112410433) 4.300000000000000e+000 > (P7112410433) 6 > (P7112410433) 1.026000000000000e+002 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 1.8042 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 3.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.9292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 1 1 0 0 0 0 13 6 1 0 0 0 0 14 2 2 0 0 0 0 15 9 1 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 19 1 0 0 0 0 19 12 2 0 0 0 0 20 6 1 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 18 1 0 0 0 0 24 23 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 20 1 0 0 0 0 13 18 2 0 0 0 0 11 15 2 0 0 0 0 M END > (P7112894835) P7112894835 > (P7112894835) 1 > (P7112894835) 7 > (P7112894835) 8 > (P7112894835) 2.900000000000000e+000 > (P7112894835) 2 > (P7112894835) 1.162000000000000e+002 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 -0.8208 -0.6875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -1.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -0.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7500 -0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 1.3958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 10 2 0 0 0 0 17 7 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 8 1 0 0 0 0 21 12 1 0 0 0 0 22 17 2 0 0 0 0 23 17 1 0 0 0 0 24 19 1 0 0 0 0 25 19 2 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 25 1 0 0 0 0 29 24 2 0 0 0 0 30 28 2 0 0 0 0 31 26 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 15 18 2 0 0 0 0 27 31 2 0 0 0 0 29 30 1 0 0 0 0 M END > (P7114090075) P7114090075 > (P7114090075) 2 > (P7114090075) 4 > (P7114090075) 4 > (P7114090075) 4.300000000000000e+000 > (P7114090075) 5 > (P7114090075) 1.001000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 -3.0000 -1.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.0000 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2833 -3.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -3.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 -0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0458 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 0.6625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 3.3708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 11 2 0 0 0 0 18 13 1 0 0 0 0 19 6 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 23 18 1 0 0 0 0 24 18 2 0 0 0 0 25 24 1 0 0 0 0 26 23 2 0 0 0 0 27 25 2 0 0 0 0 10 5 1 0 0 0 0 6 7 1 0 0 0 0 22 15 1 0 0 0 0 26 27 1 0 0 0 0 M END > (P7114090078) P7114090078 > (P7114090078) 2 > (P7114090078) 5 > (P7114090078) 3 > (P7114090078) 3.000000000000000e+000 > (P7114090078) 4 > (P7114090078) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 -2.1333 -1.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.1333 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3000 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -2.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -1.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 11 2 0 0 0 0 19 14 2 0 0 0 0 20 17 1 0 0 0 0 21 15 2 0 0 0 0 22 15 1 0 0 0 0 23 18 1 0 0 0 0 24 20 1 0 0 0 0 25 23 2 0 0 0 0 26 22 2 0 0 0 0 27 21 1 0 0 0 0 28 26 1 0 0 0 0 5 10 1 0 0 0 0 7 6 1 0 0 0 0 19 25 1 0 0 0 0 28 27 2 0 0 0 0 M END > (P7114090080) P7114090080 > (P7114090080) 2 > (P7114090080) 6 > (P7114090080) 5 > (P7114090080) 2.000000000000000e+000 > (P7114090080) 4 > (P7114090080) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -2.5333 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5333 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6500 -3.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -2.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 12 2 0 0 0 0 16 11 2 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 19 6 1 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 22 21 2 0 0 0 0 23 17 1 0 0 0 0 24 17 2 0 0 0 0 25 18 1 0 0 0 0 26 20 1 0 0 0 0 27 23 2 0 0 0 0 28 24 1 0 0 0 0 29 28 2 0 0 0 0 10 5 1 0 0 0 0 6 7 1 0 0 0 0 22 15 1 0 0 0 0 29 27 1 0 0 0 0 M END > (P7114090081) P7114090081 > (P7114090081) 2 > (P7114090081) 7 > (P7114090081) 5 > (P7114090081) 1.600000000000000e+000 > (P7114090081) 4 > (P7114090081) 1.032000000000000e+002 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.6125 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4833 -1.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6125 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -3.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 2.6958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3458 -1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 3.2708 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3167 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 3.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 19 2 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 6 2 0 0 0 0 17 9 2 0 0 0 0 18 25 2 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 21 14 1 0 0 0 0 22 14 2 0 0 0 0 23 12 1 0 0 0 0 24 5 1 0 0 0 0 25 23 1 0 0 0 0 26 28 2 0 0 0 0 27 23 2 0 0 0 0 28 27 1 0 0 0 0 2 3 1 0 0 0 0 13 20 1 0 0 0 0 11 8 1 0 0 0 0 18 26 1 0 0 0 0 M CHG 2 9 1 15 -1 M END > (P7114090120) P7114090120 > (P7114090120) 2 > (P7114090120) 7 > (P7114090120) 4 > (P7114090120) 1.000000000000000e+000 > (P7114090120) 4 > (P7114090120) 1.306000000000000e+002 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.8458 -0.9292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8458 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3333 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -2.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.5708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8458 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 1.0125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 0.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7958 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 13 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 12 2 0 0 0 0 17 10 2 0 0 0 0 18 7 1 0 0 0 0 19 24 2 0 0 0 0 20 14 1 0 0 0 0 21 11 2 0 0 0 0 22 8 1 0 0 0 0 23 13 2 0 0 0 0 24 20 1 0 0 0 0 25 31 2 0 0 0 0 26 18 2 0 0 0 0 27 18 1 0 0 0 0 28 20 2 0 0 0 0 29 21 1 0 0 0 0 30 29 2 0 0 0 0 31 28 1 0 0 0 0 32 27 2 0 0 0 0 33 26 1 0 0 0 0 34 32 1 0 0 0 0 3 7 1 0 0 0 0 8 9 1 0 0 0 0 23 30 1 0 0 0 0 33 34 2 0 0 0 0 25 19 1 0 0 0 0 M CHG 2 12 1 15 -1 M END > (P7114090124) P7114090124 > (P7114090124) 2 > (P7114090124) 7 > (P7114090124) 5 > (P7114090124) 2.700000000000000e+000 > (P7114090124) 5 > (P7114090124) 1.306000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 -0.6708 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -1.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6458 -1.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6708 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -3.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -3.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -1.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 2.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 3.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 13 2 0 0 0 0 15 6 2 0 0 0 0 16 19 2 0 0 0 0 17 9 2 0 0 0 0 18 24 2 0 0 0 0 19 17 1 0 0 0 0 20 12 1 0 0 0 0 21 14 1 0 0 0 0 22 5 1 0 0 0 0 23 16 1 0 0 0 0 24 20 1 0 0 0 0 25 27 2 0 0 0 0 26 20 2 0 0 0 0 27 26 1 0 0 0 0 3 2 1 0 0 0 0 8 11 1 0 0 0 0 14 16 1 0 0 0 0 25 18 1 0 0 0 0 M END > (P7114090126) P7114090126 > (P7114090126) 2 > (P7114090126) 5 > (P7114090126) 3 > (P7114090126) 2.500000000000000e+000 > (P7114090126) 4 > (P7114090126) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.3667 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1625 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 7 1 0 0 0 0 12 8 2 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 11 1 0 0 0 0 17 7 2 0 0 0 0 18 11 2 0 0 0 0 19 16 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 15 2 0 0 0 0 23 17 1 0 0 0 0 24 19 1 0 0 0 0 25 23 2 0 0 0 0 26 22 1 0 0 0 0 27 21 2 0 0 0 0 28 26 2 0 0 0 0 2 4 1 0 0 0 0 18 25 1 0 0 0 0 28 27 1 0 0 0 0 M END > (P7114090422) P7114090422 > (P7114090422) 1 > (P7114090422) 4 > (P7114090422) 7 > (P7114090422) 3.200000000000000e+000 > (P7114090422) 3 > (P7114090422) 6.790000000000001e+001 $$$$ -ISIS- 08092202382D 22 24 0 0 0 0 0 0 0 0999 V2000 -0.7000 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -1.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 -0.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6542 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -3.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -3.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 9 2 0 0 0 0 18 12 2 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 11 8 2 0 0 0 0 2 4 1 0 0 0 0 22 18 1 0 0 0 0 M END > (P7114090613) P7114090613 > (P7114090613) 2 > (P7114090613) 5 > (P7114090613) 4 > (P7114090613) 8.000000000000000e-001 > (P7114090613) 3 > (P7114090613) 9.510000000000002e+001 $$$$ -ISIS- 08092202382D 22 24 0 0 0 0 0 0 0 0999 V2000 -1.0958 -1.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0958 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2000 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -3.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 6 1 0 0 0 0 16 12 1 0 0 0 0 17 10 2 0 0 0 0 18 12 2 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 18 22 1 0 0 0 0 M END > (P7114090654) P7114090654 > (P7114090654) 2 > (P7114090654) 6 > (P7114090654) 4 > (P7114090654) 2.000000000000000e-001 > (P7114090654) 3 > (P7114090654) 1.080000000000000e+002 $$$$ -ISIS- 08092202382D 20 21 0 0 0 0 0 0 0 0999 V2000 1.4000 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -3.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 7 2 0 0 0 0 16 10 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 4 6 1 0 0 0 0 20 16 1 0 0 0 0 M END > (P7114090822) P7114090822 > (P7114090822) 3 > (P7114090822) 3 > (P7114090822) 4 > (P7114090822) 5.000000000000000e-001 > (P7114090822) 2 > (P7114090822) 9.350000000000001e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 -0.8708 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -1.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0667 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -3.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -1.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -1.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -3.3500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 8 2 0 0 0 0 12 5 2 0 0 0 0 13 3 2 0 0 0 0 14 10 1 0 0 0 0 15 17 1 0 0 0 0 16 8 1 0 0 0 0 17 16 2 0 0 0 0 18 9 1 0 0 0 0 19 14 1 0 0 0 0 20 4 1 0 0 0 0 21 15 1 0 0 0 0 22 19 1 0 0 0 0 23 18 2 0 0 0 0 24 18 1 0 0 0 0 25 21 1 0 0 0 0 26 22 2 0 0 0 0 27 22 1 0 0 0 0 28 27 2 0 0 0 0 29 26 1 0 0 0 0 30 24 2 0 0 0 0 31 23 1 0 0 0 0 32 30 1 0 0 0 0 33 28 1 0 0 0 0 5 7 1 0 0 0 0 15 10 2 0 0 0 0 32 31 2 0 0 0 0 29 33 2 0 0 0 0 M END > (P7114090877) P7114090877 > (P7114090877) 3 > (P7114090877) 4 > (P7114090877) 7 > (P7114090877) 4.800000000000000e+000 > (P7114090877) 4 > (P7114090877) 1.037000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.3500 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -0.3875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4500 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -2.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 0.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 5 2 0 0 0 0 12 2 1 0 0 0 0 13 4 2 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 8 2 0 0 0 0 18 15 2 0 0 0 0 19 10 2 0 0 0 0 20 12 2 0 0 0 0 21 12 1 0 0 0 0 22 14 2 0 0 0 0 23 17 1 0 0 0 0 24 25 2 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 2 0 0 0 0 28 23 2 0 0 0 0 29 27 1 0 0 0 0 5 6 1 0 0 0 0 28 22 1 0 0 0 0 29 26 2 0 0 0 0 18 24 1 0 0 0 0 M END > (P7114090911) P7114090911 > (P7114090911) 3 > (P7114090911) 3 > (P7114090911) 4 > (P7114090911) 4.600000000000000e+000 > (P7114090911) 4 > (P7114090911) 9.810000000000002e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 -0.4125 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 10 2 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 9 1 0 0 0 0 16 6 2 0 0 0 0 17 2 1 0 0 0 0 18 4 2 0 0 0 0 19 15 1 0 0 0 0 20 10 1 0 0 0 0 21 13 1 0 0 0 0 22 14 1 0 0 0 0 23 19 2 0 0 0 0 24 15 2 0 0 0 0 25 17 1 0 0 0 0 26 17 2 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 21 1 0 0 0 0 30 31 2 0 0 0 0 31 24 1 0 0 0 0 32 25 2 0 0 0 0 33 26 1 0 0 0 0 34 33 2 0 0 0 0 7 6 1 0 0 0 0 12 14 1 0 0 0 0 32 34 1 0 0 0 0 30 23 1 0 0 0 0 M END > (P7114090956) P7114090956 > (P7114090956) 3 > (P7114090956) 6 > (P7114090956) 7 > (P7114090956) 3.900000000000000e+000 > (P7114090956) 4 > (P7114090956) 1.258000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.7708 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3708 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -0.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 -2.1792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 2 1 0 0 0 0 13 3 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 9 1 0 0 0 0 19 18 2 0 0 0 0 20 14 2 0 0 0 0 21 10 2 0 0 0 0 22 12 2 0 0 0 0 23 12 1 0 0 0 0 24 19 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 27 22 1 0 0 0 0 28 23 2 0 0 0 0 29 28 1 0 0 0 0 6 5 1 0 0 0 0 16 24 2 0 0 0 0 27 29 2 0 0 0 0 25 20 1 0 0 0 0 M END > (P7114090967) P7114090967 > (P7114090967) 4 > (P7114090967) 4 > (P7114090967) 4 > (P7114090967) 3.700000000000000e+000 > (P7114090967) 4 > (P7114090967) 1.184000000000000e+002 $$$$ -ISIS- 08092202382D 28 32 0 0 0 0 0 0 0 0999 V2000 -2.6458 0.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.6458 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4208 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 8 2 0 0 0 0 13 12 1 0 0 0 0 14 18 1 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 11 2 0 0 0 0 20 10 1 0 0 0 0 21 11 1 0 0 0 0 22 10 2 0 0 0 0 23 21 2 0 0 0 0 24 19 1 0 0 0 0 25 20 2 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 28 26 2 0 0 0 0 4 5 1 0 0 0 0 9 13 2 0 0 0 0 14 17 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 M END > (P7114420217) P7114420217 > (P7114420217) 0 > (P7114420217) 2 > (P7114420217) 4 > (P7114420217) 4.500000000000000e+000 > (P7114420217) 5 > (P7114420217) 1.690000000000000e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 -0.8333 -0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8333 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9042 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 2.4833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3125 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 3.4833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5958 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.3333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 12 4 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 10 2 0 0 0 0 20 12 2 0 0 0 0 21 14 1 0 0 0 0 22 8 1 0 0 0 0 23 20 1 0 0 0 0 24 13 2 0 0 0 0 25 12 1 0 0 0 0 26 27 2 0 0 0 0 27 24 1 0 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 30 21 2 0 0 0 0 31 25 2 0 0 0 0 32 31 1 0 0 0 0 33 29 2 0 0 0 0 34 30 1 0 0 0 0 35 34 2 0 0 0 0 3 4 1 0 0 0 0 9 8 1 0 0 0 0 26 15 1 0 0 0 0 28 32 2 0 0 0 0 35 33 1 0 0 0 0 M CHG 2 11 1 17 -1 M END > (P7114510283) P7114510283 > (P7114510283) 2 > (P7114510283) 6 > (P7114510283) 5 > (P7114510283) 4.500000000000000e+000 > (P7114510283) 5 > (P7114510283) 1.177000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 -0.8333 -0.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8333 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9042 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -2.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.5333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 0.9458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 10 2 0 0 0 0 19 13 2 0 0 0 0 20 15 1 0 0 0 0 21 11 2 0 0 0 0 22 8 1 0 0 0 0 23 19 1 0 0 0 0 24 13 1 0 0 0 0 25 14 2 0 0 0 0 26 19 1 0 0 0 0 27 20 2 0 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 30 24 2 0 0 0 0 31 29 2 0 0 0 0 32 30 1 0 0 0 0 33 27 1 0 0 0 0 34 28 2 0 0 0 0 35 34 1 0 0 0 0 3 4 1 0 0 0 0 9 8 1 0 0 0 0 31 25 1 0 0 0 0 26 32 2 0 0 0 0 33 35 2 0 0 0 0 M CHG 2 12 1 16 -1 M END > (P7114510284) P7114510284 > (P7114510284) 2 > (P7114510284) 6 > (P7114510284) 5 > (P7114510284) 4.500000000000000e+000 > (P7114510284) 5 > (P7114510284) 1.177000000000000e+002 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.2625 -0.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2625 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -2.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -2.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.4708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3125 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 0.8333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 13 1 0 0 0 0 13 11 1 0 0 0 0 14 7 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 10 2 0 0 0 0 19 22 2 0 0 0 0 20 15 1 0 0 0 0 21 11 2 0 0 0 0 22 14 1 0 0 0 0 23 8 1 0 0 0 0 24 13 2 0 0 0 0 25 14 2 0 0 0 0 26 29 2 0 0 0 0 27 20 1 0 0 0 0 28 20 2 0 0 0 0 29 25 1 0 0 0 0 30 21 1 0 0 0 0 31 30 2 0 0 0 0 32 28 1 0 0 0 0 33 27 2 0 0 0 0 34 32 2 0 0 0 0 3 7 1 0 0 0 0 9 8 1 0 0 0 0 31 24 1 0 0 0 0 26 19 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 2 12 1 16 -1 M END > (P7114510364) P7114510364 > (P7114510364) 2 > (P7114510364) 7 > (P7114510364) 5 > (P7114510364) 2.700000000000000e+000 > (P7114510364) 5 > (P7114510364) 1.306000000000000e+002 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.2625 -0.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2625 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -2.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3042 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -2.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 3.2083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 10 2 0 0 0 0 15 19 2 0 0 0 0 16 13 1 0 0 0 0 17 13 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 22 2 0 0 0 0 21 8 1 0 0 0 0 22 17 1 0 0 0 0 23 16 2 0 0 0 0 24 20 1 0 0 0 0 25 11 2 0 0 0 0 26 29 2 0 0 0 0 27 18 2 0 0 0 0 28 18 1 0 0 0 0 29 25 1 0 0 0 0 30 28 2 0 0 0 0 31 27 1 0 0 0 0 32 30 1 0 0 0 0 3 6 1 0 0 0 0 9 8 1 0 0 0 0 23 20 1 0 0 0 0 26 15 1 0 0 0 0 31 32 2 0 0 0 0 M END > (P7114510372) P7114510372 > (P7114510372) 2 > (P7114510372) 5 > (P7114510372) 4 > (P7114510372) 3.500000000000000e+000 > (P7114510372) 5 > (P7114510372) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.0500 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.9500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6958 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1958 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 20 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 23 1 0 0 0 0 21 14 1 0 0 0 0 22 14 2 0 0 0 0 23 16 1 0 0 0 0 24 19 2 0 0 0 0 25 18 1 0 0 0 0 26 22 1 0 0 0 0 27 21 2 0 0 0 0 28 24 1 0 0 0 0 29 26 2 0 0 0 0 8 10 2 0 0 0 0 5 3 1 0 0 0 0 28 25 2 0 0 0 0 29 27 1 0 0 0 0 M END > (P7114510440) P7114510440 > (P7114510440) 3 > (P7114510440) 5 > (P7114510440) 6 > (P7114510440) 2.200000000000000e+000 > (P7114510440) 4 > (P7114510440) 9.210000000000001e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -0.6125 -1.3667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6125 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -0.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4958 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -0.0167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0208 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 0.3625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 13 1 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 9 2 0 0 0 0 18 14 1 0 0 0 0 19 10 2 0 0 0 0 20 6 1 0 0 0 0 21 12 1 0 0 0 0 22 13 2 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 25 18 1 0 0 0 0 26 18 2 0 0 0 0 27 21 1 0 0 0 0 28 19 1 0 0 0 0 29 28 2 0 0 0 0 30 26 1 0 0 0 0 31 25 2 0 0 0 0 32 30 2 0 0 0 0 12 5 1 0 0 0 0 6 7 1 0 0 0 0 29 22 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 2 11 1 15 -1 M END > (P7114510443) P7114510443 > (P7114510443) 3 > (P7114510443) 7 > (P7114510443) 7 > (P7114510443) 2.000000000000000e+000 > (P7114510443) 4 > (P7114510443) 1.379000000000000e+002 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.6208 -0.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6208 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -0.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5458 -1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -0.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 9 2 0 0 0 0 15 11 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 6 1 0 0 0 0 20 10 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 23 18 2 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 26 24 2 0 0 0 0 27 23 1 0 0 0 0 28 26 1 0 0 0 0 10 5 1 0 0 0 0 6 7 1 0 0 0 0 17 16 2 0 0 0 0 27 28 2 0 0 0 0 M END > (P7114510456) P7114510456 > (P7114510456) 3 > (P7114510456) 5 > (P7114510456) 6 > (P7114510456) 2.000000000000000e+000 > (P7114510456) 4 > (P7114510456) 1.203000000000000e+002 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 -0.7833 -0.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -1.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8917 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 1.7458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -2.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1458 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 12 2 0 0 0 0 18 14 1 0 0 0 0 19 25 2 0 0 0 0 20 17 1 0 0 0 0 21 13 1 0 0 0 0 22 8 1 0 0 0 0 23 16 1 0 0 0 0 24 11 2 0 0 0 0 25 21 1 0 0 0 0 26 30 2 0 0 0 0 27 16 2 0 0 0 0 28 21 2 0 0 0 0 29 24 1 0 0 0 0 30 28 1 0 0 0 0 31 29 2 0 0 0 0 3 5 1 0 0 0 0 9 8 1 0 0 0 0 20 18 2 0 0 0 0 27 31 1 0 0 0 0 19 26 1 0 0 0 0 M END > (P7114510537) P7114510537 > (P7114510537) 2 > (P7114510537) 5 > (P7114510537) 4 > (P7114510537) 3.300000000000000e+000 > (P7114510537) 5 > (P7114510537) 1.130000000000000e+002 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.8833 -0.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8833 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -1.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3708 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 1.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3458 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 16 19 1 0 0 0 0 17 24 2 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 8 1 0 0 0 0 21 15 1 0 0 0 0 22 11 2 0 0 0 0 23 12 1 0 0 0 0 24 18 1 0 0 0 0 25 29 1 0 0 0 0 26 31 2 0 0 0 0 27 15 2 0 0 0 0 28 18 2 0 0 0 0 29 23 2 0 0 0 0 30 22 1 0 0 0 0 31 28 1 0 0 0 0 32 30 2 0 0 0 0 3 7 1 0 0 0 0 9 8 1 0 0 0 0 27 32 1 0 0 0 0 16 25 2 0 0 0 0 17 26 1 0 0 0 0 M END > (P7114510606) P7114510606 > (P7114510606) 2 > (P7114510606) 6 > (P7114510606) 4 > (P7114510606) 2.300000000000000e+000 > (P7114510606) 5 > (P7114510606) 9.760000000000002e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 -0.9458 -0.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -1.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4250 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -1.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.7000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 1.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 1.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4083 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 10 2 0 0 0 0 16 11 2 0 0 0 0 17 14 1 0 0 0 0 18 22 1 0 0 0 0 19 25 2 0 0 0 0 20 16 1 0 0 0 0 21 13 1 0 0 0 0 22 12 2 0 0 0 0 23 8 1 0 0 0 0 24 12 1 0 0 0 0 25 21 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 28 21 2 0 0 0 0 29 24 2 0 0 0 0 30 28 1 0 0 0 0 3 7 1 0 0 0 0 9 8 1 0 0 0 0 20 17 2 0 0 0 0 18 26 2 0 0 0 0 19 27 1 0 0 0 0 M END > (P7114510616) P7114510616 > (P7114510616) 2 > (P7114510616) 6 > (P7114510616) 4 > (P7114510616) 1.500000000000000e+000 > (P7114510616) 5 > (P7114510616) 1.259000000000000e+002 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.8958 -0.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8958 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5792 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 -1.7250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 2.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 3.1250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 14 2 0 0 0 0 17 10 2 0 0 0 0 18 24 2 0 0 0 0 19 11 2 0 0 0 0 20 12 2 0 0 0 0 21 15 1 0 0 0 0 22 29 2 0 0 0 0 23 20 1 0 0 0 0 24 19 1 0 0 0 0 25 13 1 0 0 0 0 26 16 1 0 0 0 0 27 8 1 0 0 0 0 28 18 1 0 0 0 0 29 25 1 0 0 0 0 30 32 2 0 0 0 0 31 25 2 0 0 0 0 32 31 1 0 0 0 0 6 3 1 0 0 0 0 8 9 1 0 0 0 0 18 16 1 0 0 0 0 21 23 2 0 0 0 0 30 22 1 0 0 0 0 M END > (P7114510649) P7114510649 > (P7114510649) 2 > (P7114510649) 5 > (P7114510649) 4 > (P7114510649) 4.100000000000000e+000 > (P7114510649) 5 > (P7114510649) 1.130000000000000e+002 $$$$ -ISIS- 08092202382D 33 38 0 0 0 0 0 0 0 0999 V2000 -1.2458 -0.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2458 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -2.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -0.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5917 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -2.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 3.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 1.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 17 27 1 0 0 0 0 18 15 1 0 0 0 0 19 10 2 0 0 0 0 20 17 1 0 0 0 0 21 11 1 0 0 0 0 22 18 1 0 0 0 0 23 12 2 0 0 0 0 24 16 1 0 0 0 0 25 30 2 0 0 0 0 26 23 1 0 0 0 0 27 21 2 0 0 0 0 28 13 1 0 0 0 0 29 8 1 0 0 0 0 30 28 1 0 0 0 0 31 33 2 0 0 0 0 32 28 2 0 0 0 0 33 32 1 0 0 0 0 3 6 1 0 0 0 0 9 8 1 0 0 0 0 15 17 2 0 0 0 0 26 24 2 0 0 0 0 20 22 1 0 0 0 0 25 31 1 0 0 0 0 M END > (P7114510679) P7114510679 > (P7114510679) 2 > (P7114510679) 7 > (P7114510679) 4 > (P7114510679) 2.500000000000000e+000 > (P7114510679) 6 > (P7114510679) 1.314000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.1083 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -0.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5042 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 4.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3208 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 14 3 0 0 0 0 13 5 1 0 0 0 0 14 19 1 0 0 0 0 15 9 2 0 0 0 0 16 25 2 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 22 1 0 0 0 0 20 11 1 0 0 0 0 21 6 1 0 0 0 0 22 18 2 0 0 0 0 23 17 1 0 0 0 0 24 10 1 0 0 0 0 25 20 1 0 0 0 0 26 28 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 29 20 2 0 0 0 0 30 24 1 0 0 0 0 31 29 1 0 0 0 0 8 10 2 0 0 0 0 5 3 1 0 0 0 0 23 19 2 0 0 0 0 16 27 1 0 0 0 0 M END > (P7114510715) P7114510715 > (P7114510715) 3 > (P7114510715) 7 > (P7114510715) 6 > (P7114510715) 9.000000000000000e-001 > (P7114510715) 4 > (P7114510715) 1.288000000000000e+002 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 -1.2250 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4500 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -2.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4500 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 2.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 3.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 1.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5958 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 22 1 0 0 0 0 16 14 1 0 0 0 0 17 9 2 0 0 0 0 18 15 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 26 2 0 0 0 0 22 19 2 0 0 0 0 23 12 1 0 0 0 0 24 6 1 0 0 0 0 25 10 1 0 0 0 0 26 23 1 0 0 0 0 27 29 1 0 0 0 0 28 32 2 0 0 0 0 29 31 1 0 0 0 0 30 23 2 0 0 0 0 31 25 1 0 0 0 0 32 30 1 0 0 0 0 8 10 2 0 0 0 0 5 3 1 0 0 0 0 14 15 2 0 0 0 0 18 20 1 0 0 0 0 21 28 1 0 0 0 0 M END > (P7114510716) P7114510716 > (P7114510716) 3 > (P7114510716) 8 > (P7114510716) 6 > (P7114510716) 8.000000000000000e-001 > (P7114510716) 5 > (P7114510716) 1.234000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 -0.4583 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -0.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4458 -0.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4583 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -2.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -2.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 4.1417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 1.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 6 2 0 0 0 0 14 12 1 0 0 0 0 15 12 2 0 0 0 0 16 11 1 0 0 0 0 17 21 2 0 0 0 0 18 5 1 0 0 0 0 19 26 2 0 0 0 0 20 14 2 0 0 0 0 21 15 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 24 16 1 0 0 0 0 25 16 2 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 2 3 1 0 0 0 0 17 20 1 0 0 0 0 10 8 1 0 0 0 0 19 27 1 0 0 0 0 M END > (P7114511750) P7114511750 > (P7114511750) 2 > (P7114511750) 4 > (P7114511750) 3 > (P7114511750) 3.200000000000000e+000 > (P7114511750) 4 > (P7114511750) 7.180000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.2625 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3208 -0.5375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2625 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -2.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -2.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 2.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 1.3333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 6 2 0 0 0 0 14 18 2 0 0 0 0 15 11 1 0 0 0 0 16 5 1 0 0 0 0 17 23 1 0 0 0 0 18 12 1 0 0 0 0 19 17 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 12 2 0 0 0 0 25 26 2 0 0 0 0 26 24 1 0 0 0 0 2 3 1 0 0 0 0 8 10 1 0 0 0 0 22 17 2 0 0 0 0 25 14 1 0 0 0 0 M END > (P7114511756) P7114511756 > (P7114511756) 2 > (P7114511756) 5 > (P7114511756) 3 > (P7114511756) 1.400000000000000e+000 > (P7114511756) 4 > (P7114511756) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.0583 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -0.8750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0000 -0.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0583 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -2.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 1.3250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 5 1 0 0 0 0 17 23 2 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 14 1 0 0 0 0 22 19 2 0 0 0 0 23 20 1 0 0 0 0 24 10 2 0 0 0 0 25 14 2 0 0 0 0 26 21 1 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 29 27 2 0 0 0 0 3 2 1 0 0 0 0 8 11 1 0 0 0 0 22 17 1 0 0 0 0 25 29 1 0 0 0 0 M END > (P7114511766) P7114511766 > (P7114511766) 2 > (P7114511766) 5 > (P7114511766) 5 > (P7114511766) 2.800000000000000e+000 > (P7114511766) 4 > (P7114511766) 8.110000000000001e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 -1.1958 -0.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1958 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -2.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 4.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -1.9292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0333 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0083 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 1.1083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 16 3 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 24 1 0 0 0 0 17 10 2 0 0 0 0 18 11 2 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 15 1 0 0 0 0 22 15 2 0 0 0 0 23 12 1 0 0 0 0 24 28 2 0 0 0 0 25 8 1 0 0 0 0 26 32 2 0 0 0 0 27 21 2 0 0 0 0 28 22 1 0 0 0 0 29 26 1 0 0 0 0 30 23 1 0 0 0 0 31 23 2 0 0 0 0 32 31 1 0 0 0 0 33 30 2 0 0 0 0 3 6 1 0 0 0 0 9 8 1 0 0 0 0 27 24 1 0 0 0 0 20 19 2 0 0 0 0 33 26 1 0 0 0 0 M END > (P7114511861) P7114511861 > (P7114511861) 2 > (P7114511861) 5 > (P7114511861) 4 > (P7114511861) 4.000000000000000e+000 > (P7114511861) 5 > (P7114511861) 1.239000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 -1.0000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.7875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5167 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -1.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 2.2708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 3.1333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5458 1.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 0.9833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 14 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 15 2 0 0 0 0 15 12 1 0 0 0 0 16 10 1 0 0 0 0 17 10 2 0 0 0 0 18 9 2 0 0 0 0 19 13 1 0 0 0 0 20 6 1 0 0 0 0 21 27 2 0 0 0 0 22 12 2 0 0 0 0 23 21 1 0 0 0 0 24 19 1 0 0 0 0 25 19 2 0 0 0 0 26 24 2 0 0 0 0 27 25 1 0 0 0 0 28 11 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 31 22 1 0 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 8 11 2 0 0 0 0 5 3 1 0 0 0 0 29 14 1 0 0 0 0 21 26 1 0 0 0 0 M CHG 2 10 1 16 -1 M END > (P7114511904) P7114511904 > (P7114511904) 3 > (P7114511904) 7 > (P7114511904) 7 > (P7114511904) 2.300000000000000e+000 > (P7114511904) 4 > (P7114511904) 1.379000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.1250 -0.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1250 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9583 -1.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -2.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 0.6333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 2.3708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.0833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0583 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 8 2 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 10 2 0 0 0 0 19 6 1 0 0 0 0 20 26 1 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 16 2 0 0 0 0 24 16 1 0 0 0 0 25 23 1 0 0 0 0 26 24 2 0 0 0 0 27 11 1 0 0 0 0 28 31 1 0 0 0 0 29 18 1 0 0 0 0 30 29 2 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 5 11 1 0 0 0 0 7 6 1 0 0 0 0 15 30 1 0 0 0 0 25 20 2 0 0 0 0 M END > (P7114511912) P7114511912 > (P7114511912) 3 > (P7114511912) 5 > (P7114511912) 6 > (P7114511912) 3.700000000000000e+000 > (P7114511912) 4 > (P7114511912) 9.210000000000001e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.4625 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3458 -1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4625 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -3.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -0.4042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2125 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0458 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0833 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 11 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 6 2 0 0 0 0 18 14 1 0 0 0 0 19 8 2 0 0 0 0 20 5 1 0 0 0 0 21 24 1 0 0 0 0 22 18 2 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 11 2 0 0 0 0 27 21 1 0 0 0 0 28 27 1 0 0 0 0 29 19 1 0 0 0 0 30 29 2 0 0 0 0 2 3 1 0 0 0 0 13 9 1 0 0 0 0 21 25 2 0 0 0 0 26 30 1 0 0 0 0 M CHG 2 10 1 15 -1 M END > (P7114511945) P7114511945 > (P7114511945) 2 > (P7114511945) 7 > (P7114511945) 5 > (P7114511945) 2.200000000000000e+000 > (P7114511945) 4 > (P7114511945) 1.269000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.5083 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -0.9292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3875 -0.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5083 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -2.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -2.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 0.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 3.6750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 12 2 0 0 0 0 16 6 2 0 0 0 0 17 13 1 0 0 0 0 18 20 2 0 0 0 0 19 12 1 0 0 0 0 20 14 1 0 0 0 0 21 5 1 0 0 0 0 22 26 1 0 0 0 0 23 18 1 0 0 0 0 24 17 2 0 0 0 0 25 17 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 22 1 0 0 0 0 29 28 1 0 0 0 0 3 2 1 0 0 0 0 8 11 1 0 0 0 0 27 22 2 0 0 0 0 15 18 1 0 0 0 0 M END > (P7114511949) P7114511949 > (P7114511949) 2 > (P7114511949) 5 > (P7114511949) 4 > (P7114511949) 3.600000000000000e+000 > (P7114511949) 4 > (P7114511949) 8.110000000000001e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6125 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5958 -0.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6125 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -2.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -2.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 6 2 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 16 5 1 0 0 0 0 17 21 2 0 0 0 0 18 15 1 0 0 0 0 19 15 2 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 17 1 0 0 0 0 23 14 2 0 0 0 0 24 12 2 0 0 0 0 25 22 1 0 0 0 0 26 27 2 0 0 0 0 27 24 1 0 0 0 0 2 3 1 0 0 0 0 8 10 1 0 0 0 0 17 20 1 0 0 0 0 26 23 1 0 0 0 0 M END > (P7114511957) P7114511957 > (P7114511957) 2 > (P7114511957) 6 > (P7114511957) 4 > (P7114511957) 1.500000000000000e+000 > (P7114511957) 4 > (P7114511957) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.2458 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -0.8500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1208 -0.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2458 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -2.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6208 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 5 1 0 0 0 0 17 23 2 0 0 0 0 18 15 1 0 0 0 0 19 15 2 0 0 0 0 20 14 1 0 0 0 0 21 10 2 0 0 0 0 22 18 2 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 25 14 2 0 0 0 0 26 20 1 0 0 0 0 27 24 1 0 0 0 0 28 21 1 0 0 0 0 29 26 1 0 0 0 0 30 28 2 0 0 0 0 3 2 1 0 0 0 0 8 11 1 0 0 0 0 22 17 1 0 0 0 0 25 30 1 0 0 0 0 M END > (P7114511968) P7114511968 > (P7114511968) 2 > (P7114511968) 6 > (P7114511968) 6 > (P7114511968) 2.600000000000000e+000 > (P7114511968) 4 > (P7114511968) 9.030000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.6125 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.1042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5958 -0.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6125 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -0.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -1.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6125 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 14 2 0 0 0 0 17 5 1 0 0 0 0 18 23 2 0 0 0 0 19 10 2 0 0 0 0 20 15 1 0 0 0 0 21 15 2 0 0 0 0 22 20 2 0 0 0 0 23 21 1 0 0 0 0 24 16 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 3 2 1 0 0 0 0 11 8 1 0 0 0 0 18 22 1 0 0 0 0 16 27 1 0 0 0 0 M END > (P7114511977) P7114511977 > (P7114511977) 3 > (P7114511977) 6 > (P7114511977) 4 > (P7114511977) 2.000000000000000e+000 > (P7114511977) 4 > (P7114511977) 1.013000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4125 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -1.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2708 -1.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4125 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -3.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -3.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -1.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 3.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 14 3 0 0 0 0 13 4 1 0 0 0 0 14 19 1 0 0 0 0 15 6 2 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 11 1 0 0 0 0 19 22 1 0 0 0 0 20 5 1 0 0 0 0 21 27 1 0 0 0 0 22 17 2 0 0 0 0 23 16 1 0 0 0 0 24 18 2 0 0 0 0 25 18 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 3 2 1 0 0 0 0 23 19 2 0 0 0 0 10 8 1 0 0 0 0 26 21 2 0 0 0 0 M END > (P7114511981) P7114511981 > (P7114511981) 2 > (P7114511981) 6 > (P7114511981) 4 > (P7114511981) 2.200000000000000e+000 > (P7114511981) 4 > (P7114511981) 1.049000000000000e+002 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 -1.0833 -0.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0833 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8625 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 25 2 0 0 0 0 16 11 1 0 0 0 0 17 8 1 0 0 0 0 18 22 2 0 0 0 0 19 16 1 0 0 0 0 20 16 2 0 0 0 0 21 19 2 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 14 1 0 0 0 0 27 14 2 0 0 0 0 28 13 1 0 0 0 0 29 13 2 0 0 0 0 30 23 1 0 0 0 0 31 29 1 0 0 0 0 32 28 2 0 0 0 0 33 31 2 0 0 0 0 3 6 1 0 0 0 0 9 8 1 0 0 0 0 24 15 1 0 0 0 0 32 33 1 0 0 0 0 21 18 1 0 0 0 0 M END > (P7114511995) P7114511995 > (P7114511995) 2 > (P7114511995) 6 > (P7114511995) 5 > (P7114511995) 2.800000000000000e+000 > (P7114511995) 5 > (P7114511995) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -1.2083 -0.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2083 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -1.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -0.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4042 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -1.7250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 12 2 0 0 0 0 18 14 1 0 0 0 0 19 17 1 0 0 0 0 20 13 1 0 0 0 0 21 8 1 0 0 0 0 22 28 2 0 0 0 0 23 20 1 0 0 0 0 24 20 2 0 0 0 0 25 16 1 0 0 0 0 26 11 2 0 0 0 0 27 23 2 0 0 0 0 28 24 1 0 0 0 0 29 22 1 0 0 0 0 30 16 2 0 0 0 0 31 25 1 0 0 0 0 32 29 1 0 0 0 0 33 26 1 0 0 0 0 34 33 2 0 0 0 0 3 6 1 0 0 0 0 9 8 1 0 0 0 0 30 34 1 0 0 0 0 19 18 2 0 0 0 0 27 22 1 0 0 0 0 M END > (P7114512087) P7114512087 > (P7114512087) 2 > (P7114512087) 6 > (P7114512087) 6 > (P7114512087) 3.800000000000000e+000 > (P7114512087) 5 > (P7114512087) 1.185000000000000e+002 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 -1.2208 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2000 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2000 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 2.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 9 2 0 0 0 0 16 11 2 0 0 0 0 17 18 2 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 20 6 1 0 0 0 0 21 27 1 0 0 0 0 22 14 1 0 0 0 0 23 19 2 0 0 0 0 24 19 1 0 0 0 0 25 17 1 0 0 0 0 26 23 1 0 0 0 0 27 24 2 0 0 0 0 28 10 1 0 0 0 0 29 21 1 0 0 0 0 30 31 1 0 0 0 0 31 35 1 0 0 0 0 32 22 1 0 0 0 0 33 25 1 0 0 0 0 34 29 1 0 0 0 0 35 28 1 0 0 0 0 8 10 2 0 0 0 0 5 3 1 0 0 0 0 14 17 1 0 0 0 0 26 21 2 0 0 0 0 M END > (P7114512124) P7114512124 > (P7114512124) 3 > (P7114512124) 8 > (P7114512124) 9 > (P7114512124) 2.100000000000000e+000 > (P7114512124) 4 > (P7114512124) 1.198000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 -1.5000 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3833 -1.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5000 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -3.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 1.6958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2333 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 2.7208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0625 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 14 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 10 2 0 0 0 0 13 6 1 0 0 0 0 14 15 2 0 0 0 0 15 11 1 0 0 0 0 16 20 1 0 0 0 0 17 9 1 0 0 0 0 18 9 2 0 0 0 0 19 6 2 0 0 0 0 20 24 2 0 0 0 0 21 16 2 0 0 0 0 22 13 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 25 5 1 0 0 0 0 26 16 1 0 0 0 0 27 22 1 0 0 0 0 28 22 2 0 0 0 0 29 11 2 0 0 0 0 30 31 2 0 0 0 0 31 29 1 0 0 0 0 32 26 1 0 0 0 0 33 32 1 0 0 0 0 2 3 1 0 0 0 0 12 8 1 0 0 0 0 23 20 1 0 0 0 0 14 30 1 0 0 0 0 M CHG 2 9 1 17 -1 M END > (P7114512344) P7114512344 > (P7114512344) 2 > (P7114512344) 8 > (P7114512344) 7 > (P7114512344) 2.400000000000000e+000 > (P7114512344) 4 > (P7114512344) 1.440000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 3.1625 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8125 -0.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4625 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 0.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 4 2 0 0 0 0 14 9 1 0 0 0 0 15 11 1 0 0 0 0 16 10 2 0 0 0 0 17 2 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 20 12 1 0 0 0 0 21 24 1 0 0 0 0 22 20 2 0 0 0 0 23 20 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 21 1 0 0 0 0 6 4 1 0 0 0 0 15 14 2 0 0 0 0 21 25 2 0 0 0 0 M END > (P7115220011) P7115220011 > (P7115220011) 1 > (P7115220011) 5 > (P7115220011) 6 > (P7115220011) 3.200000000000000e+000 > (P7115220011) 3 > (P7115220011) 1.282000000000000e+002 $$$$ -ISIS- 08092202382D 32 37 0 0 0 0 0 0 0 0999 V2000 -0.1833 0.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1000 -0.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0708 0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9875 -0.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 0.3833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3500 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -0.4875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5000 0.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1542 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6208 -0.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7000 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 13 1 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 11 2 0 0 0 0 16 8 2 0 0 0 0 17 7 2 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 20 2 0 0 0 0 24 20 1 0 0 0 0 25 19 1 0 0 0 0 26 19 2 0 0 0 0 27 24 2 0 0 0 0 28 25 2 0 0 0 0 29 26 1 0 0 0 0 30 23 1 0 0 0 0 31 29 2 0 0 0 0 32 27 1 0 0 0 0 4 5 1 0 0 0 0 6 14 1 0 0 0 0 10 12 1 0 0 0 0 8 9 1 0 0 0 0 28 31 1 0 0 0 0 32 30 2 0 0 0 0 M END > (P7115710010) P7115710010 > (P7115710010) 0 > (P7115710010) 6 > (P7115710010) 2 > (P7115710010) 6.000000000000000e-001 > (P7115710010) 6 > (P7115710010) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 30 35 0 0 0 0 0 0 0 0999 V2000 3.1042 -7.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -6.7792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8875 -7.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8417 -7.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8417 -7.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8917 -6.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -7.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -6.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -8.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1125 -6.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9375 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -9.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -9.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -10.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 13 1 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 9 2 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 10 2 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 19 2 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 24 2 0 0 0 0 27 23 1 0 0 0 0 28 22 2 0 0 0 0 29 26 1 0 0 0 0 30 28 1 0 0 0 0 5 4 1 0 0 0 0 6 14 1 0 0 0 0 12 9 1 0 0 0 0 8 11 1 0 0 0 0 27 29 2 0 0 0 0 25 30 2 0 0 0 0 M END > (P7115710012) P7115710012 > (P7115710012) 2 > (P7115710012) 6 > (P7115710012) 2 > (P7115710012) 1.000000000000000e-001 > (P7115710012) 6 > (P7115710012) 9.880000000000001e+001 $$$$ -ISIS- 08092202382D 34 39 0 0 0 0 0 0 0 0999 V2000 3.3542 -4.8292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8792 -4.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1375 -4.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0917 -4.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0917 -5.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1417 -3.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9167 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -4.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8375 -4.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -5.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3625 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1875 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 13 1 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 12 1 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 11 2 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 12 2 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 19 2 0 0 0 0 24 19 1 0 0 0 0 25 20 2 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 23 1 0 0 0 0 30 26 2 0 0 0 0 31 25 1 0 0 0 0 32 24 2 0 0 0 0 33 30 1 0 0 0 0 34 32 1 0 0 0 0 5 4 1 0 0 0 0 6 14 1 0 0 0 0 9 11 1 0 0 0 0 8 10 1 0 0 0 0 31 33 2 0 0 0 0 29 34 2 0 0 0 0 M END > (P7115710015) P7115710015 > (P7115710015) 0 > (P7115710015) 6 > (P7115710015) 4 > (P7115710015) 1.300000000000000e+000 > (P7115710015) 6 > (P7115710015) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 -0.4125 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4125 0.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8667 1.3333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 1.3333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1625 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 0.6708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6792 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 15 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 6 1 0 0 0 0 15 20 1 0 0 0 0 16 10 2 0 0 0 0 17 9 2 0 0 0 0 18 9 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 11 2 0 0 0 0 22 11 1 0 0 0 0 23 10 1 0 0 0 0 24 26 1 0 0 0 0 25 21 1 0 0 0 0 26 22 2 0 0 0 0 27 24 1 0 0 0 0 28 14 2 0 0 0 0 29 14 1 0 0 0 0 30 23 1 0 0 0 0 31 29 2 0 0 0 0 32 28 1 0 0 0 0 33 31 1 0 0 0 0 8 6 1 0 0 0 0 3 5 1 0 0 0 0 19 15 2 0 0 0 0 25 24 2 0 0 0 0 33 32 2 0 0 0 0 M END > (P7115710031) P7115710031 > (P7115710031) 1 > (P7115710031) 7 > (P7115710031) 5 > (P7115710031) 3.500000000000000e+000 > (P7115710031) 5 > (P7115710031) 9.640000000000001e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 1.1000 0.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5458 1.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5458 0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5000 1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1292 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 2.3958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7042 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -3.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 1.8625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 2.9125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7958 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 9 1 0 0 0 0 13 5 2 0 0 0 0 14 4 2 0 0 0 0 15 6 1 0 0 0 0 16 8 1 0 0 0 0 17 24 2 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 10 1 0 0 0 0 21 9 2 0 0 0 0 22 23 2 0 0 0 0 23 21 1 0 0 0 0 24 29 1 0 0 0 0 25 28 2 0 0 0 0 26 15 2 0 0 0 0 27 15 1 0 0 0 0 28 16 1 0 0 0 0 29 16 2 0 0 0 0 30 27 2 0 0 0 0 31 26 1 0 0 0 0 32 30 1 0 0 0 0 3 2 1 0 0 0 0 6 7 1 0 0 0 0 11 22 1 0 0 0 0 25 17 1 0 0 0 0 31 32 2 0 0 0 0 M END > (P7115710032) P7115710032 > (P7115710032) 0 > (P7115710032) 5 > (P7115710032) 4 > (P7115710032) 3.700000000000000e+000 > (P7115710032) 5 > (P7115710032) 6.270000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 -0.2208 1.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2208 0.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1667 0.8125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6375 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0625 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4833 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -2.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 0.9500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 20 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 10 1 0 0 0 0 21 17 1 0 0 0 0 22 10 2 0 0 0 0 23 26 2 0 0 0 0 24 11 1 0 0 0 0 25 11 2 0 0 0 0 26 22 1 0 0 0 0 27 24 2 0 0 0 0 28 25 1 0 0 0 0 29 28 2 0 0 0 0 6 8 1 0 0 0 0 5 3 1 0 0 0 0 17 18 2 0 0 0 0 27 29 1 0 0 0 0 14 23 1 0 0 0 0 M END > (P7115710045) P7115710045 > (P7115710045) 0 > (P7115710045) 5 > (P7115710045) 3 > (P7115710045) 3.500000000000000e+000 > (P7115710045) 5 > (P7115710045) 6.270000000000000e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 0.0000 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 0.5375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8917 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.5375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8625 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -0.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3167 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -2.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 0.7208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 25 2 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 9 1 0 0 0 0 18 9 2 0 0 0 0 19 21 1 0 0 0 0 20 23 2 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 18 1 0 0 0 0 24 17 2 0 0 0 0 25 11 1 0 0 0 0 26 19 1 0 0 0 0 27 20 1 0 0 0 0 28 11 2 0 0 0 0 29 31 2 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 8 6 1 0 0 0 0 5 3 1 0 0 0 0 22 19 2 0 0 0 0 24 20 1 0 0 0 0 14 29 1 0 0 0 0 M END > (P7115710046) P7115710046 > (P7115710046) 0 > (P7115710046) 6 > (P7115710046) 4 > (P7115710046) 3.500000000000000e+000 > (P7115710046) 5 > (P7115710046) 7.200000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 0.4042 1.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4042 0.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0042 0.5958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4167 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 0.5958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5708 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2083 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 0.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3958 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 0.7958 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 20 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 10 1 0 0 0 0 21 17 1 0 0 0 0 22 10 2 0 0 0 0 23 26 2 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 22 1 0 0 0 0 27 25 1 0 0 0 0 28 24 1 0 0 0 0 29 27 1 0 0 0 0 8 6 1 0 0 0 0 5 3 1 0 0 0 0 18 17 2 0 0 0 0 28 29 1 0 0 0 0 14 23 1 0 0 0 0 M END > (P7115710048) P7115710048 > (P7115710048) 0 > (P7115710048) 5 > (P7115710048) 3 > (P7115710048) 3.800000000000000e+000 > (P7115710048) 5 > (P7115710048) 6.270000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.6708 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -1.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7958 -0.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4375 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -2.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 0.5958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9125 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1458 1.2208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0333 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 11 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 10 1 0 0 0 0 17 10 2 0 0 0 0 18 5 2 0 0 0 0 19 15 2 0 0 0 0 20 8 2 0 0 0 0 21 6 1 0 0 0 0 22 11 2 0 0 0 0 23 15 1 0 0 0 0 24 19 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 26 2 0 0 0 0 28 23 2 0 0 0 0 29 28 1 0 0 0 0 3 2 1 0 0 0 0 14 9 1 0 0 0 0 27 22 1 0 0 0 0 25 29 2 0 0 0 0 M CHG 2 10 1 16 -1 M END > (P7116580018) P7116580018 > (P7116580018) 2 > (P7116580018) 6 > (P7116580018) 4 > (P7116580018) 2.700000000000000e+000 > (P7116580018) 4 > (P7116580018) 1.177000000000000e+002 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 0.0167 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -1.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9708 -1.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -3.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -3.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 2.3958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 13 2 0 0 0 0 15 21 2 0 0 0 0 16 14 1 0 0 0 0 17 6 2 0 0 0 0 18 15 1 0 0 0 0 19 9 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 12 1 0 0 0 0 23 5 1 0 0 0 0 24 29 2 0 0 0 0 25 24 1 0 0 0 0 26 22 1 0 0 0 0 27 22 2 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 3 2 1 0 0 0 0 8 11 1 0 0 0 0 28 24 1 0 0 0 0 14 15 1 0 0 0 0 18 20 1 0 0 0 0 M END > (P7116580091) P7116580091 > (P7116580091) 2 > (P7116580091) 6 > (P7116580091) 3 > (P7116580091) 2.700000000000000e+000 > (P7116580091) 5 > (P7116580091) 9.030000000000000e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.3833 -1.0792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3833 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0208 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -2.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 8 2 0 0 0 0 15 7 1 0 0 0 0 16 11 1 0 0 0 0 17 13 2 0 0 0 0 18 16 2 0 0 0 0 19 9 1 0 0 0 0 20 11 2 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 24 13 1 0 0 0 0 25 15 1 0 0 0 0 26 15 2 0 0 0 0 27 17 1 0 0 0 0 28 23 2 0 0 0 0 29 21 1 0 0 0 0 30 24 2 0 0 0 0 31 30 1 0 0 0 0 32 26 1 0 0 0 0 33 25 2 0 0 0 0 34 32 2 0 0 0 0 7 3 1 0 0 0 0 10 9 1 0 0 0 0 28 18 1 0 0 0 0 33 34 1 0 0 0 0 27 31 2 0 0 0 0 M END > (P7116580154) P7116580154 > (P7116580154) 3 > (P7116580154) 6 > (P7116580154) 5 > (P7116580154) 3.700000000000000e+000 > (P7116580154) 5 > (P7116580154) 1.013000000000000e+002 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 -0.7500 -0.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7500 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7625 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -2.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 2.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -2.7417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0833 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 15 8 2 0 0 0 0 16 11 1 0 0 0 0 17 21 2 0 0 0 0 18 14 2 0 0 0 0 19 9 1 0 0 0 0 20 16 1 0 0 0 0 21 13 1 0 0 0 0 22 11 2 0 0 0 0 23 13 2 0 0 0 0 24 14 1 0 0 0 0 25 29 2 0 0 0 0 26 16 2 0 0 0 0 27 18 1 0 0 0 0 28 18 1 0 0 0 0 29 23 1 0 0 0 0 30 22 1 0 0 0 0 31 24 2 0 0 0 0 32 30 2 0 0 0 0 33 31 1 0 0 0 0 3 4 1 0 0 0 0 10 9 1 0 0 0 0 17 25 1 0 0 0 0 26 32 1 0 0 0 0 28 33 2 0 0 0 0 M END > (P7116580224) P7116580224 > (P7116580224) 2 > (P7116580224) 5 > (P7116580224) 4 > (P7116580224) 3.900000000000000e+000 > (P7116580224) 5 > (P7116580224) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 -0.8833 -0.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8833 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -1.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 -2.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 7 1 0 0 0 0 15 8 2 0 0 0 0 16 11 1 0 0 0 0 17 13 2 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 9 1 0 0 0 0 21 16 1 0 0 0 0 22 23 1 0 0 0 0 23 19 2 0 0 0 0 24 18 1 0 0 0 0 25 11 2 0 0 0 0 26 17 1 0 0 0 0 27 22 1 0 0 0 0 28 13 1 0 0 0 0 29 16 2 0 0 0 0 30 17 1 0 0 0 0 31 26 1 0 0 0 0 32 25 1 0 0 0 0 33 28 2 0 0 0 0 34 33 1 0 0 0 0 35 32 2 0 0 0 0 3 4 1 0 0 0 0 10 9 1 0 0 0 0 24 22 2 0 0 0 0 29 35 1 0 0 0 0 30 34 2 0 0 0 0 M END > (P7116580274) P7116580274 > (P7116580274) 3 > (P7116580274) 6 > (P7116580274) 5 > (P7116580274) 4.300000000000000e+000 > (P7116580274) 5 > (P7116580274) 1.013000000000000e+002 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 -2.5625 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5625 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -1.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6333 -3.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -3.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 2.2708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 3.4208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 8 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 17 1 0 0 0 0 19 12 1 0 0 0 0 20 14 1 0 0 0 0 21 6 1 0 0 0 0 22 28 1 0 0 0 0 23 16 1 0 0 0 0 24 22 1 0 0 0 0 25 19 2 0 0 0 0 26 19 1 0 0 0 0 27 25 1 0 0 0 0 28 26 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 14 16 1 0 0 0 0 27 22 2 0 0 0 0 M END > (P7116580367) P7116580367 > (P7116580367) 2 > (P7116580367) 5 > (P7116580367) 3 > (P7116580367) 3.600000000000000e+000 > (P7116580367) 4 > (P7116580367) 8.470000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 -2.5125 -0.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5125 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5875 -2.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -0.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 4 1 0 0 0 0 14 6 2 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 7 1 0 0 0 0 19 21 1 0 0 0 0 20 16 1 0 0 0 0 21 17 2 0 0 0 0 22 15 1 0 0 0 0 23 19 1 0 0 0 0 24 12 2 0 0 0 0 25 15 2 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 28 27 2 0 0 0 0 5 10 1 0 0 0 0 8 7 1 0 0 0 0 20 19 2 0 0 0 0 25 28 1 0 0 0 0 M END > (P7116580385) P7116580385 > (P7116580385) 3 > (P7116580385) 7 > (P7116580385) 4 > (P7116580385) 1.400000000000000e+000 > (P7116580385) 4 > (P7116580385) 1.142000000000000e+002 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.9333 -0.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9333 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -0.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8958 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3208 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 6 2 0 0 0 0 16 14 1 0 0 0 0 17 13 1 0 0 0 0 18 7 1 0 0 0 0 19 16 1 0 0 0 0 20 11 2 0 0 0 0 21 19 1 0 0 0 0 22 13 2 0 0 0 0 23 14 2 0 0 0 0 24 17 1 0 0 0 0 25 17 2 0 0 0 0 26 21 2 0 0 0 0 27 21 1 0 0 0 0 28 20 1 0 0 0 0 29 22 1 0 0 0 0 30 28 2 0 0 0 0 31 29 2 0 0 0 0 32 27 2 0 0 0 0 33 26 1 0 0 0 0 34 32 1 0 0 0 0 5 10 1 0 0 0 0 8 7 1 0 0 0 0 23 30 1 0 0 0 0 25 31 1 0 0 0 0 33 34 2 0 0 0 0 M END > (P7116580433) P7116580433 > (P7116580433) 2 > (P7116580433) 6 > (P7116580433) 6 > (P7116580433) 3.700000000000000e+000 > (P7116580433) 5 > (P7116580433) 9.400000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 -2.1958 -1.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.1958 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.6750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2708 -2.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -2.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -0.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 -1.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -1.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 3.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 1.0458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 21 2 0 0 0 0 16 14 1 0 0 0 0 17 8 2 0 0 0 0 18 15 1 0 0 0 0 19 11 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 12 1 0 0 0 0 23 6 1 0 0 0 0 24 29 1 0 0 0 0 25 24 1 0 0 0 0 26 22 2 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 29 27 2 0 0 0 0 5 10 1 0 0 0 0 7 6 1 0 0 0 0 14 15 1 0 0 0 0 18 20 1 0 0 0 0 28 24 2 0 0 0 0 M END > (P7116580435) P7116580435 > (P7116580435) 2 > (P7116580435) 7 > (P7116580435) 3 > (P7116580435) 2.100000000000000e+000 > (P7116580435) 5 > (P7116580435) 1.032000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.2333 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -0.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2792 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -0.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 2.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 1.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7208 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 5 1 0 0 0 0 14 26 2 0 0 0 0 15 11 1 0 0 0 0 16 6 1 0 0 0 0 17 22 2 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 19 2 0 0 0 0 22 20 1 0 0 0 0 23 10 1 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 27 13 1 0 0 0 0 28 13 2 0 0 0 0 29 30 1 0 0 0 0 30 23 1 0 0 0 0 8 10 2 0 0 0 0 5 3 1 0 0 0 0 25 14 1 0 0 0 0 21 17 1 0 0 0 0 M END > (P7116580441) P7116580441 > (P7116580441) 3 > (P7116580441) 6 > (P7116580441) 6 > (P7116580441) 1.700000000000000e+000 > (P7116580441) 4 > (P7116580441) 1.050000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.1833 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3292 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -1.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0875 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -1.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 2.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 6 2 0 0 0 0 14 5 1 0 0 0 0 15 22 2 0 0 0 0 16 12 1 0 0 0 0 17 7 1 0 0 0 0 18 10 1 0 0 0 0 19 27 1 0 0 0 0 20 12 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 14 1 0 0 0 0 24 14 2 0 0 0 0 25 16 1 0 0 0 0 26 16 2 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 29 20 1 0 0 0 0 30 29 2 0 0 0 0 9 10 2 0 0 0 0 5 3 1 0 0 0 0 21 15 1 0 0 0 0 26 30 1 0 0 0 0 M END > (P7116580442) P7116580442 > (P7116580442) 3 > (P7116580442) 6 > (P7116580442) 6 > (P7116580442) 1.500000000000000e+000 > (P7116580442) 4 > (P7116580442) 1.050000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4458 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2250 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -1.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0417 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -1.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7208 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 6 2 0 0 0 0 15 18 2 0 0 0 0 16 13 1 0 0 0 0 17 7 1 0 0 0 0 18 12 1 0 0 0 0 19 16 1 0 0 0 0 20 10 1 0 0 0 0 21 26 1 0 0 0 0 22 12 2 0 0 0 0 23 13 2 0 0 0 0 24 29 2 0 0 0 0 25 16 2 0 0 0 0 26 28 1 0 0 0 0 27 19 1 0 0 0 0 28 20 1 0 0 0 0 29 22 1 0 0 0 0 30 23 1 0 0 0 0 31 30 2 0 0 0 0 9 10 2 0 0 0 0 5 3 1 0 0 0 0 15 24 1 0 0 0 0 25 31 1 0 0 0 0 M END > (P7116580444) P7116580444 > (P7116580444) 3 > (P7116580444) 7 > (P7116580444) 7 > (P7116580444) 1.000000000000000e+000 > (P7116580444) 4 > (P7116580444) 1.142000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.2958 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1875 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 2.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0958 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 6 2 0 0 0 0 15 18 2 0 0 0 0 16 13 1 0 0 0 0 17 7 1 0 0 0 0 18 12 1 0 0 0 0 19 10 1 0 0 0 0 20 26 1 0 0 0 0 21 12 2 0 0 0 0 22 13 2 0 0 0 0 23 28 2 0 0 0 0 24 16 1 0 0 0 0 25 16 2 0 0 0 0 26 27 1 0 0 0 0 27 19 1 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 29 2 0 0 0 0 9 10 2 0 0 0 0 5 3 1 0 0 0 0 15 23 1 0 0 0 0 25 30 1 0 0 0 0 M END > (P7116580445) P7116580445 > (P7116580445) 3 > (P7116580445) 6 > (P7116580445) 6 > (P7116580445) 1.500000000000000e+000 > (P7116580445) 4 > (P7116580445) 1.050000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.1083 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -0.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4000 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1625 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -0.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.3333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 3.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0333 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 6 2 0 0 0 0 17 20 2 0 0 0 0 18 11 2 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 15 1 0 0 0 0 22 7 1 0 0 0 0 23 17 1 0 0 0 0 24 10 1 0 0 0 0 25 29 1 0 0 0 0 26 14 2 0 0 0 0 27 19 1 0 0 0 0 28 19 2 0 0 0 0 29 30 1 0 0 0 0 30 24 1 0 0 0 0 31 26 1 0 0 0 0 32 31 2 0 0 0 0 9 10 2 0 0 0 0 5 3 1 0 0 0 0 15 17 1 0 0 0 0 28 32 1 0 0 0 0 M END > (P7116580472) P7116580472 > (P7116580472) 3 > (P7116580472) 5 > (P7116580472) 6 > (P7116580472) 4.000000000000000e+000 > (P7116580472) 4 > (P7116580472) 9.210000000000001e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.2375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.5375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2625 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -1.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 2.4625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1458 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 6 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 17 15 2 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 11 2 0 0 0 0 21 16 1 0 0 0 0 22 10 1 0 0 0 0 23 28 1 0 0 0 0 24 20 1 0 0 0 0 25 13 2 0 0 0 0 26 16 2 0 0 0 0 27 24 2 0 0 0 0 28 30 1 0 0 0 0 29 21 1 0 0 0 0 30 22 1 0 0 0 0 31 25 1 0 0 0 0 32 31 2 0 0 0 0 9 10 2 0 0 0 0 5 3 1 0 0 0 0 17 27 1 0 0 0 0 26 32 1 0 0 0 0 M END > (P7116580485) P7116580485 > (P7116580485) 3 > (P7116580485) 6 > (P7116580485) 7 > (P7116580485) 2.900000000000000e+000 > (P7116580485) 4 > (P7116580485) 1.013000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.2208 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2917 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2917 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 1.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1458 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6875 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 5 1 0 0 0 0 13 9 2 0 0 0 0 14 12 2 0 0 0 0 15 12 1 0 0 0 0 16 11 1 0 0 0 0 17 6 1 0 0 0 0 18 26 2 0 0 0 0 19 21 1 0 0 0 0 20 14 1 0 0 0 0 21 15 2 0 0 0 0 22 18 1 0 0 0 0 23 16 1 0 0 0 0 24 16 2 0 0 0 0 25 23 2 0 0 0 0 26 24 1 0 0 0 0 27 10 1 0 0 0 0 28 19 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 27 1 0 0 0 0 8 10 2 0 0 0 0 5 3 1 0 0 0 0 20 19 2 0 0 0 0 25 18 1 0 0 0 0 M END > (P7116580495) P7116580495 > (P7116580495) 4 > (P7116580495) 6 > (P7116580495) 6 > (P7116580495) 2.600000000000000e+000 > (P7116580495) 4 > (P7116580495) 1.123000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0708 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4375 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -2.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 3.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9958 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 5 1 0 0 0 0 14 6 2 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 21 2 0 0 0 0 20 16 2 0 0 0 0 21 17 1 0 0 0 0 22 10 1 0 0 0 0 23 19 1 0 0 0 0 24 28 1 0 0 0 0 25 12 2 0 0 0 0 26 15 1 0 0 0 0 27 15 2 0 0 0 0 28 29 1 0 0 0 0 29 22 1 0 0 0 0 30 25 1 0 0 0 0 31 30 2 0 0 0 0 9 10 2 0 0 0 0 5 3 1 0 0 0 0 19 20 1 0 0 0 0 27 31 1 0 0 0 0 M END > (P7116580496) P7116580496 > (P7116580496) 4 > (P7116580496) 6 > (P7116580496) 6 > (P7116580496) 2.400000000000000e+000 > (P7116580496) 4 > (P7116580496) 1.123000000000000e+002 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 1.3042 1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0125 1.4708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0125 2.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8000 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 1.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1542 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 15 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 5 1 0 0 0 0 14 6 2 0 0 0 0 15 19 2 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 18 1 0 0 0 0 20 17 2 0 0 0 0 21 10 1 0 0 0 0 22 9 1 0 0 0 0 23 13 1 0 0 0 0 24 13 2 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 22 2 0 0 0 0 28 23 2 0 0 0 0 29 24 1 0 0 0 0 30 27 1 0 0 0 0 31 26 2 0 0 0 0 32 30 2 0 0 0 0 33 29 2 0 0 0 0 2 3 1 0 0 0 0 5 8 1 0 0 0 0 32 31 1 0 0 0 0 15 20 1 0 0 0 0 33 28 1 0 0 0 0 M END > (P7116940118) P7116940118 > (P7116940118) 0 > (P7116940118) 6 > (P7116940118) 6 > (P7116940118) 3.800000000000000e+000 > (P7116940118) 5 > (P7116940118) 7.619999999999999e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 0.0167 1.3958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 0.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3500 0.9708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8375 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.9708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7958 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -3.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 15 1 0 0 0 0 11 8 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 6 1 0 0 0 0 15 19 1 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 9 2 0 0 0 0 22 9 1 0 0 0 0 23 10 1 0 0 0 0 24 25 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 24 1 0 0 0 0 28 14 2 0 0 0 0 29 14 1 0 0 0 0 30 23 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 29 2 0 0 0 0 34 33 1 0 0 0 0 8 6 1 0 0 0 0 5 3 1 0 0 0 0 26 24 2 0 0 0 0 20 15 2 0 0 0 0 32 34 2 0 0 0 0 M END > (P7116940119) P7116940119 > (P7116940119) 0 > (P7116940119) 7 > (P7116940119) 6 > (P7116940119) 3.700000000000000e+000 > (P7116940119) 5 > (P7116940119) 8.540000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 0.0667 1.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0667 0.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 0.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2583 0.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0958 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 5 2 0 0 0 0 15 21 2 0 0 0 0 16 9 2 0 0 0 0 17 11 2 0 0 0 0 18 12 1 0 0 0 0 19 12 2 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 10 2 0 0 0 0 23 10 1 0 0 0 0 24 11 1 0 0 0 0 25 26 1 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 9 1 0 0 0 0 29 25 1 0 0 0 0 30 16 1 0 0 0 0 31 16 1 0 0 0 0 32 24 1 0 0 0 0 33 29 1 0 0 0 0 34 28 2 0 0 0 0 35 34 1 0 0 0 0 8 4 1 0 0 0 0 6 3 1 0 0 0 0 27 25 2 0 0 0 0 20 15 1 0 0 0 0 31 35 2 0 0 0 0 M END > (P7116940124) P7116940124 > (P7116940124) 0 > (P7116940124) 7 > (P7116940124) 6 > (P7116940124) 4.200000000000000e+000 > (P7116940124) 5 > (P7116940124) 8.540000000000001e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 1.5875 1.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5875 2.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2667 1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 2.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 1.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9167 1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 2.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 13 1 0 0 0 0 11 6 1 0 0 0 0 12 4 2 0 0 0 0 13 19 1 0 0 0 0 14 8 2 0 0 0 0 15 10 2 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 9 2 0 0 0 0 21 9 1 0 0 0 0 22 24 1 0 0 0 0 23 10 1 0 0 0 0 24 21 2 0 0 0 0 25 20 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 8 7 1 0 0 0 0 5 3 1 0 0 0 0 18 13 2 0 0 0 0 22 25 2 0 0 0 0 M END > (P7116940125) P7116940125 > (P7116940125) 1 > (P7116940125) 6 > (P7116940125) 4 > (P7116940125) 2.700000000000000e+000 > (P7116940125) 4 > (P7116940125) 8.490000000000002e+001 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 1.6542 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -3.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5333 -1.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5333 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8542 -1.8542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1167 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 6 2 0 0 0 0 13 7 2 0 0 0 0 14 18 1 0 0 0 0 15 14 2 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 14 1 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 23 21 1 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 M END > (P7117160091) P7117160091 > (P7117160091) 1 > (P7117160091) 6 > (P7117160091) 6 > (P7117160091) 2.000000000000000e+000 > (P7117160091) 2 > (P7117160091) 1.210000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -2.4875 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -0.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.9083 0.9083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2208 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 1.1708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3958 0.4958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.7958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9417 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 15 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 10 1 0 0 0 0 16 12 2 0 0 0 0 17 4 1 0 0 0 0 18 5 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 19 1 0 0 0 0 22 15 1 0 0 0 0 23 21 1 0 0 0 0 24 21 2 0 0 0 0 25 22 1 0 0 0 0 26 23 2 0 0 0 0 27 24 1 0 0 0 0 28 27 2 0 0 0 0 9 6 1 0 0 0 0 5 8 1 0 0 0 0 28 26 1 0 0 0 0 M END > (P7117160110) P7117160110 > (P7117160110) 1 > (P7117160110) 6 > (P7117160110) 7 > (P7117160110) 3.400000000000000e+000 > (P7117160110) 3 > (P7117160110) 1.210000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -2.3583 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.7833 0.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.7833 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0875 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -0.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 8 1 0 0 0 0 11 6 2 0 0 0 0 12 7 2 0 0 0 0 13 15 1 0 0 0 0 14 9 1 0 0 0 0 15 20 1 0 0 0 0 16 13 2 0 0 0 0 17 4 1 0 0 0 0 18 5 1 0 0 0 0 19 10 1 0 0 0 0 20 14 1 0 0 0 0 21 13 1 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 25 24 2 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 27 26 2 0 0 0 0 M END > (P7117160111) P7117160111 > (P7117160111) 1 > (P7117160111) 6 > (P7117160111) 7 > (P7117160111) 2.600000000000000e+000 > (P7117160111) 3 > (P7117160111) 1.210000000000000e+002 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 3.4417 -1.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.7125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -4.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 0.7125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 18 2 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 12 2 0 0 0 0 18 10 1 0 0 0 0 19 13 2 0 0 0 0 20 16 1 0 0 0 0 21 15 2 0 0 0 0 22 20 2 0 0 0 0 23 17 1 0 0 0 0 24 10 2 0 0 0 0 25 27 2 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 8 7 1 0 0 0 0 6 9 2 0 0 0 0 14 25 1 0 0 0 0 17 19 1 0 0 0 0 21 22 1 0 0 0 0 M END > (P7117200182) P7117200182 > (P7117200182) 0 > (P7117200182) 4 > (P7117200182) 2 > (P7117200182) 4.800000000000000e+000 > (P7117200182) 5 > (P7117200182) 3.770000000000000e+001 $$$$ -ISIS- 08092202382D 29 33 0 0 0 0 0 0 0 0999 V2000 3.4417 -1.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6750 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 13 4 1 0 0 0 0 14 17 1 0 0 0 0 15 23 1 0 0 0 0 16 10 1 0 0 0 0 17 16 2 0 0 0 0 18 12 1 0 0 0 0 19 8 1 0 0 0 0 20 14 1 0 0 0 0 21 9 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 13 2 0 0 0 0 25 13 1 0 0 0 0 26 18 1 0 0 0 0 27 20 1 0 0 0 0 28 19 2 0 0 0 0 29 21 2 0 0 0 0 6 7 1 0 0 0 0 9 8 2 0 0 0 0 15 22 2 0 0 0 0 28 29 1 0 0 0 0 12 14 2 0 0 0 0 M END > (P7117200195) P7117200195 > (P7117200195) 0 > (P7117200195) 6 > (P7117200195) 4 > (P7117200195) 3.500000000000000e+000 > (P7117200195) 5 > (P7117200195) 5.619999999999999e+001 $$$$ -ISIS- 08092202382D 36 41 0 0 0 0 0 0 0 0999 V2000 -0.1833 0.2458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1667 -0.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7542 -0.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7958 -0.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7542 0.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.2458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7458 -0.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3625 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1667 0.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 3.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -3.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 14 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 12 1 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 2 1 0 0 0 0 14 1 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 7 2 0 0 0 0 18 12 2 0 0 0 0 19 11 2 0 0 0 0 20 8 2 0 0 0 0 21 16 2 0 0 0 0 22 15 2 0 0 0 0 23 15 1 0 0 0 0 24 16 1 0 0 0 0 25 9 1 0 0 0 0 26 10 1 0 0 0 0 27 29 1 0 0 0 0 28 32 1 0 0 0 0 29 23 2 0 0 0 0 30 21 1 0 0 0 0 31 22 1 0 0 0 0 32 24 2 0 0 0 0 33 28 1 0 0 0 0 34 27 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 3 6 1 0 0 0 0 5 13 1 0 0 0 0 10 11 1 0 0 0 0 30 28 2 0 0 0 0 9 7 1 0 0 0 0 31 27 2 0 0 0 0 M END > (P7117350116) P7117350116 > (P7117350116) 0 > (P7117350116) 8 > (P7117350116) 4 > (P7117350116) 5.000000000000000e-001 > (P7117350116) 6 > (P7117350116) 9.970000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 4.1875 -6.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1417 -5.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4292 -6.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9792 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -6.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8917 -6.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -5.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2542 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -7.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -9.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -8.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -9.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 14 2 0 0 0 0 19 17 2 0 0 0 0 20 13 2 0 0 0 0 21 13 1 0 0 0 0 22 19 1 0 0 0 0 23 16 2 0 0 0 0 24 16 1 0 0 0 0 25 21 2 0 0 0 0 26 20 1 0 0 0 0 27 23 1 0 0 0 0 28 24 2 0 0 0 0 29 28 1 0 0 0 0 30 25 1 0 0 0 0 8 7 1 0 0 0 0 3 5 1 0 0 0 0 27 29 2 0 0 0 0 19 18 1 0 0 0 0 26 30 2 0 0 0 0 M END > (P7117830006) P7117830006 > (P7117830006) 1 > (P7117830006) 4 > (P7117830006) 4 > (P7117830006) 3.500000000000000e+000 > (P7117830006) 5 > (P7117830006) 5.270000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 4.2292 -3.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1792 -3.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4750 -3.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0250 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 -3.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3000 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 18 2 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 16 1 0 0 0 0 21 13 2 0 0 0 0 22 13 1 0 0 0 0 23 20 1 0 0 0 0 24 17 1 0 0 0 0 25 17 2 0 0 0 0 26 23 1 0 0 0 0 27 21 1 0 0 0 0 28 22 2 0 0 0 0 29 24 2 0 0 0 0 30 25 1 0 0 0 0 31 28 1 0 0 0 0 32 30 2 0 0 0 0 8 7 1 0 0 0 0 3 5 1 0 0 0 0 16 19 1 0 0 0 0 29 32 1 0 0 0 0 27 31 2 0 0 0 0 M END > (P7117830008) P7117830008 > (P7117830008) 1 > (P7117830008) 5 > (P7117830008) 6 > (P7117830008) 3.400000000000000e+000 > (P7117830008) 5 > (P7117830008) 6.189999999999999e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 6.6417 -6.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5917 -5.9750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4375 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -6.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3667 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -7.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3417 -6.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6500 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 3 2 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 4 1 0 0 0 0 16 18 1 0 0 0 0 17 9 1 0 0 0 0 18 14 2 0 0 0 0 19 13 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 17 2 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 25 21 2 0 0 0 0 26 24 2 0 0 0 0 7 8 1 0 0 0 0 5 4 1 0 0 0 0 16 19 2 0 0 0 0 26 25 1 0 0 0 0 M END > (P7117830022) P7117830022 > (P7117830022) 1 > (P7117830022) 5 > (P7117830022) 4 > (P7117830022) 1.500000000000000e+000 > (P7117830022) 4 > (P7117830022) 6.189999999999999e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 4.3667 -3.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4167 -4.6125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6375 -4.9125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1417 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -4.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -4.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4250 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.4875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 18 1 0 0 0 0 16 9 1 0 0 0 0 17 13 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 16 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 3 7 1 0 0 0 0 6 5 1 0 0 0 0 15 17 2 0 0 0 0 24 22 2 0 0 0 0 M END > (P7117830041) P7117830041 > (P7117830041) 2 > (P7117830041) 4 > (P7117830041) 3 > (P7117830041) 1.900000000000000e+000 > (P7117830041) 4 > (P7117830041) 6.140000000000000e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 6.9917 -6.5375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0375 -7.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2542 -7.6625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7625 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -7.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -6.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0417 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -8.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -3.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -9.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -9.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 18 1 0 0 0 0 16 9 1 0 0 0 0 17 13 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 16 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 3 7 1 0 0 0 0 6 5 1 0 0 0 0 15 17 2 0 0 0 0 24 22 2 0 0 0 0 M END > (P7117830048) P7117830048 > (P7117830048) 3 > (P7117830048) 5 > (P7117830048) 3 > (P7117830048) 1.000000000000000e+000 > (P7117830048) 4 > (P7117830048) 8.170000000000000e+001 $$$$ -ISIS- 08092202382D 22 25 0 0 0 0 0 0 0 0999 V2000 6.9917 -6.5375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0375 -7.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2542 -7.6625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1917 -6.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7625 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -7.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -8.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -9.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -9.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 9 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 10 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 7 8 1 0 0 0 0 6 3 1 0 0 0 0 15 16 2 0 0 0 0 20 22 2 0 0 0 0 M END > (P7117830061) P7117830061 > (P7117830061) 2 > (P7117830061) 4 > (P7117830061) 3 > (P7117830061) 6.000000000000000e-001 > (P7117830061) 4 > (P7117830061) 7.459999999999999e+001 $$$$ -ISIS- 08092202382D 22 25 0 0 0 0 0 0 0 0999 V2000 4.7542 -3.6125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7125 -2.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4625 -3.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9792 -3.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5542 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -3.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 8 7 1 0 0 0 0 3 6 1 0 0 0 0 15 16 2 0 0 0 0 21 19 2 0 0 0 0 M END > (P7117830163) P7117830163 > (P7117830163) 1 > (P7117830163) 4 > (P7117830163) 2 > (P7117830163) 1.900000000000000e+000 > (P7117830163) 4 > (P7117830163) 7.180000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 7.1542 -4.9417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3917 -4.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3167 -4.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7167 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -4.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1792 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -5.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -4.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8375 -5.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -3.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1667 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -8.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -9.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 1 7 1 6 0 0 0 8 7 1 0 0 0 0 3 9 1 1 0 0 0 5 10 1 1 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 17 1 0 0 0 0 14 10 1 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 8 1 0 0 0 0 20 8 1 0 0 0 0 21 13 1 0 0 0 0 22 23 1 0 0 0 0 23 10 1 0 0 0 0 24 21 1 0 0 0 0 25 24 1 0 0 0 0 6 8 1 0 0 0 0 5 4 1 0 0 0 0 18 13 2 0 0 0 0 M END > (P7118030536) P7118030536 > (P7118030536) 2 > (P7118030536) 7 > (P7118030536) 7 > (P7118030536) 5.000000000000000e-001 > (P7118030536) 3 > (P7118030536) 8.660000000000002e+001 $$$$ -ISIS- 08092202382D 33 38 0 0 0 0 0 0 0 0999 V2000 6.3292 -4.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9125 -3.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3250 -3.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1542 -4.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5667 -3.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1500 -3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -5.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -4.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0792 -4.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0917 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8125 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 3 7 1 1 0 0 0 5 8 1 6 0 0 0 4 9 1 6 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 7 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 12 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 15 2 0 0 0 0 24 17 2 0 0 0 0 25 18 1 0 0 0 0 26 21 1 0 0 0 0 27 22 1 0 0 0 0 28 19 1 0 0 0 0 29 20 1 0 0 0 0 30 23 1 0 0 0 0 31 30 2 0 0 0 0 32 27 1 0 0 0 0 33 29 1 0 0 0 0 11 13 1 0 0 0 0 8 12 1 0 0 0 0 3 6 1 0 0 0 0 26 32 1 0 0 0 0 28 33 1 0 0 0 0 24 31 1 0 0 0 0 M END > (P7118030843) P7118030843 > (P7118030843) 1 > (P7118030843) 7 > (P7118030843) 3 > (P7118030843) 3.000000000000000e+000 > (P7118030843) 6 > (P7118030843) 8.450000000000001e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 2.5500 -3.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5417 -4.5750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8167 -4.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2875 -4.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3375 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.8250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4625 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 6 2 0 0 0 0 13 5 2 0 0 0 0 14 9 2 0 0 0 0 15 21 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 11 1 0 0 0 0 22 9 1 0 0 0 0 23 18 1 0 0 0 0 24 11 2 0 0 0 0 25 29 2 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 28 23 1 0 0 0 0 29 24 1 0 0 0 0 30 22 2 0 0 0 0 31 30 1 0 0 0 0 4 8 1 0 0 0 0 6 3 1 0 0 0 0 20 18 2 0 0 0 0 27 31 2 0 0 0 0 15 25 1 0 0 0 0 M END > (P7118330156) P7118330156 > (P7118330156) 0 > (P7118330156) 6 > (P7118330156) 4 > (P7118330156) 3.200000000000000e+000 > (P7118330156) 5 > (P7118330156) 7.200000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 5.7792 -7.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8000 -6.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0542 -6.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5542 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -7.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5167 -6.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -5.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -6.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0000 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -10.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 18 2 0 0 0 0 17 9 1 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 16 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 17 2 0 0 0 0 24 17 1 0 0 0 0 25 22 1 0 0 0 0 26 21 1 0 0 0 0 27 24 2 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 30 25 1 0 0 0 0 8 7 1 0 0 0 0 3 5 1 0 0 0 0 16 19 1 0 0 0 0 28 29 2 0 0 0 0 26 30 1 0 0 0 0 M END > (P7118460048) P7118460048 > (P7118460048) 2 > (P7118460048) 5 > (P7118460048) 4 > (P7118460048) 3.100000000000000e+000 > (P7118460048) 5 > (P7118460048) 7.290000000000001e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 7.2792 -6.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0042 -7.1750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0292 -6.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7792 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -7.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7500 -6.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1042 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -9.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -10.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 11 1 0 0 0 0 15 11 2 0 0 0 0 16 20 2 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 14 2 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 22 18 1 0 0 0 0 23 18 2 0 0 0 0 24 17 2 0 0 0 0 25 17 1 0 0 0 0 26 21 1 0 0 0 0 27 22 2 0 0 0 0 28 24 1 0 0 0 0 29 25 2 0 0 0 0 30 23 1 0 0 0 0 31 30 2 0 0 0 0 32 29 1 0 0 0 0 3 2 1 0 0 0 0 7 6 1 0 0 0 0 28 32 2 0 0 0 0 16 19 1 0 0 0 0 27 31 1 0 0 0 0 M END > (P7118460082) P7118460082 > (P7118460082) 1 > (P7118460082) 5 > (P7118460082) 6 > (P7118460082) 3.000000000000000e+000 > (P7118460082) 5 > (P7118460082) 6.189999999999999e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 6.5000 -6.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4792 -7.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6792 -7.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2875 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -5.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2167 -6.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -6.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -5.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -8.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -5.5292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -10.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -9.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 9 2 0 0 0 0 17 13 2 0 0 0 0 18 15 1 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 18 2 0 0 0 0 24 22 2 0 0 0 0 7 3 1 0 0 0 0 5 8 1 0 0 0 0 17 21 1 0 0 0 0 23 24 1 0 0 0 0 M END > (P7118460134) P7118460134 > (P7118460134) 2 > (P7118460134) 4 > (P7118460134) 3 > (P7118460134) 1.900000000000000e+000 > (P7118460134) 4 > (P7118460134) 6.140000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 6.5000 -6.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4792 -7.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6792 -7.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2875 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -6.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -6.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -5.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4917 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -10.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 10 2 0 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 9 2 0 0 0 0 17 16 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 15 1 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 21 1 0 0 0 0 25 22 2 0 0 0 0 26 25 1 0 0 0 0 3 6 1 0 0 0 0 7 5 1 0 0 0 0 15 12 1 0 0 0 0 26 24 2 0 0 0 0 M END > (P7118460158) P7118460158 > (P7118460158) 3 > (P7118460158) 6 > (P7118460158) 4 > (P7118460158) 1.000000000000000e+000 > (P7118460158) 4 > (P7118460158) 9.090000000000002e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 6.2917 -7.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3167 -6.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0667 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -6.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1042 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -7.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0375 -6.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -5.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3125 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -10.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 5 2 0 0 0 0 13 3 2 0 0 0 0 14 10 2 0 0 0 0 15 17 2 0 0 0 0 16 9 2 0 0 0 0 17 16 1 0 0 0 0 18 4 1 0 0 0 0 19 11 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 19 1 0 0 0 0 23 19 2 0 0 0 0 24 20 1 0 0 0 0 25 18 1 0 0 0 0 26 23 1 0 0 0 0 27 22 2 0 0 0 0 28 26 2 0 0 0 0 8 7 1 0 0 0 0 4 5 1 0 0 0 0 27 28 1 0 0 0 0 14 15 1 0 0 0 0 M END > (P7118460160) P7118460160 > (P7118460160) 2 > (P7118460160) 6 > (P7118460160) 5 > (P7118460160) 1.600000000000000e+000 > (P7118460160) 4 > (P7118460160) 8.210000000000001e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 6.3500 -7.3750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3667 -6.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6250 -7.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1250 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -7.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5917 -6.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0917 -6.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 -7.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9125 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -9.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -9.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -8.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 10 2 0 0 0 0 16 3 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 23 16 1 0 0 0 0 24 19 1 0 0 0 0 25 20 2 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 30 25 1 0 0 0 0 31 26 2 0 0 0 0 32 31 1 0 0 0 0 33 28 1 0 0 0 0 8 7 1 0 0 0 0 5 3 1 0 0 0 0 32 30 2 0 0 0 0 33 29 1 0 0 0 0 15 17 1 0 0 0 0 M END > (P7118460171) P7118460171 > (P7118460171) 1 > (P7118460171) 6 > (P7118460171) 6 > (P7118460171) 3.300000000000000e+000 > (P7118460171) 5 > (P7118460171) 7.109999999999998e+001 $$$$ -ISIS- 08092202382D 22 25 0 0 0 0 0 0 0 0999 V2000 5.6750 -5.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6542 -6.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8542 -6.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9000 -5.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4625 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -6.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -6.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -4.0167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -7.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -9.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 5 2 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 20 2 0 0 0 0 8 7 1 0 0 0 0 3 6 1 0 0 0 0 16 15 2 0 0 0 0 22 21 1 0 0 0 0 M END > (P7118460176) P7118460176 > (P7118460176) 2 > (P7118460176) 4 > (P7118460176) 3 > (P7118460176) 1.100000000000000e+000 > (P7118460176) 4 > (P7118460176) 8.970000000000000e+001 $$$$ -ISIS- 08092202382D 30 31 0 0 0 0 0 0 0 0999 V2000 3.0167 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4375 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -2.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -3.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 15 9 2 0 0 0 0 16 8 2 0 0 0 0 17 10 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 12 1 0 0 0 0 21 11 1 0 0 0 0 22 4 1 0 0 0 0 23 5 1 0 0 0 0 24 19 1 0 0 0 0 25 18 1 0 0 0 0 26 17 1 0 0 0 0 27 20 1 0 0 0 0 28 21 1 0 0 0 0 29 25 1 0 0 0 0 30 24 1 0 0 0 0 4 2 2 0 0 0 0 10 11 1 0 0 0 0 M END > (P7119152646) P7119152646 > (P7119152646) 1 > (P7119152646) 8 > (P7119152646) 10 > (P7119152646) 2.500000000000000e+000 > (P7119152646) 2 > (P7119152646) 9.229999999999998e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 2.6792 -4.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6750 -3.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9417 -3.6250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4667 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -4.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4042 -3.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -2.9750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7667 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -5.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 6 1 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 13 1 0 0 0 0 22 14 2 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 7 8 1 0 0 0 0 5 3 1 0 0 0 0 18 20 2 0 0 0 0 23 21 2 0 0 0 0 M END > (P7119330060) P7119330060 > (P7119330060) 1 > (P7119330060) 5 > (P7119330060) 3 > (P7119330060) 1.900000000000000e+000 > (P7119330060) 4 > (P7119330060) 6.189999999999999e+001 $$$$ -ISIS- 08092202382D 23 26 0 0 0 0 0 0 0 0999 V2000 2.9667 -4.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2375 -3.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2417 -4.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4500 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -4.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -3.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0292 -4.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 14 12 2 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 15 2 0 0 0 0 19 14 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 21 23 2 0 0 0 0 19 22 2 0 0 0 0 M END > (P7119330063) P7119330063 > (P7119330063) 0 > (P7119330063) 5 > (P7119330063) 3 > (P7119330063) 2.600000000000000e+000 > (P7119330063) 4 > (P7119330063) 6.530000000000000e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 5.1792 -4.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9042 -4.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9125 -5.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6875 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -4.8375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1167 -4.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -5.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0042 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -6.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2417 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -6.8667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -7.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -6.3542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -7.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 6 1 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 9 1 0 0 0 0 21 22 1 0 0 0 0 22 20 2 0 0 0 0 23 15 1 0 0 0 0 24 15 2 0 0 0 0 25 16 1 0 0 0 0 26 16 2 0 0 0 0 27 26 1 0 0 0 0 28 25 2 0 0 0 0 29 24 1 0 0 0 0 30 23 2 0 0 0 0 31 27 2 0 0 0 0 32 29 2 0 0 0 0 2 3 1 0 0 0 0 7 6 1 0 0 0 0 11 21 2 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 M END > (P7119330071) P7119330071 > (P7119330071) 0 > (P7119330071) 4 > (P7119330071) 4 > (P7119330071) 4.800000000000000e+000 > (P7119330071) 5 > (P7119330071) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 4.9542 -1.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9625 -2.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6875 -2.3750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1667 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -1.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7500 -3.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -3.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -1.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 6 2 0 0 0 0 12 15 1 0 0 0 0 13 7 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 18 9 1 0 0 0 0 19 17 1 0 0 0 0 20 12 1 0 0 0 0 21 14 1 0 0 0 0 22 13 2 0 0 0 0 23 13 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 5 8 2 0 0 0 0 6 3 1 0 0 0 0 28 27 2 0 0 0 0 14 12 2 0 0 0 0 M END > (P7119480053) P7119480053 > (P7119480053) 0 > (P7119480053) 7 > (P7119480053) 6 > (P7119480053) 2.900000000000000e+000 > (P7119480053) 4 > (P7119480053) 8.380000000000001e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 7.2167 -8.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2250 -7.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0042 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -8.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0125 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -8.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9625 -8.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -7.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1792 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -6.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -9.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -8.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 3 2 0 0 0 0 13 4 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 18 1 0 0 0 0 17 9 1 0 0 0 0 18 15 2 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 17 2 0 0 0 0 23 13 1 0 0 0 0 24 23 1 0 0 0 0 25 21 2 0 0 0 0 26 22 1 0 0 0 0 27 26 2 0 0 0 0 7 8 1 0 0 0 0 5 4 1 0 0 0 0 16 19 2 0 0 0 0 27 25 1 0 0 0 0 M END > (P7119480141) P7119480141 > (P7119480141) 2 > (P7119480141) 5 > (P7119480141) 5 > (P7119480141) 2.100000000000000e+000 > (P7119480141) 4 > (P7119480141) 7.290000000000001e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 5.8125 -7.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8167 -6.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5917 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -7.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0292 -7.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0375 -6.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5542 -7.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -8.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -5.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -9.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -9.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 3 2 0 0 0 0 13 4 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 19 1 0 0 0 0 25 23 1 0 0 0 0 8 7 1 0 0 0 0 4 5 1 0 0 0 0 16 15 2 0 0 0 0 25 24 2 0 0 0 0 M END > (P7119480145) P7119480145 > (P7119480145) 1 > (P7119480145) 4 > (P7119480145) 5 > (P7119480145) 2.200000000000000e+000 > (P7119480145) 4 > (P7119480145) 8.090000000000002e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 5.0417 -1.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0375 -0.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3042 -1.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8292 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 -1.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2500 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -1.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0042 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -1.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -1.9292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -0.5917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 15 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 5 2 0 0 0 0 14 4 2 0 0 0 0 15 22 2 0 0 0 0 16 10 1 0 0 0 0 17 10 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 9 1 0 0 0 0 25 9 1 0 0 0 0 26 9 1 0 0 0 0 27 12 1 0 0 0 0 28 12 2 0 0 0 0 29 28 1 0 0 0 0 30 27 2 0 0 0 0 31 29 2 0 0 0 0 32 31 1 0 0 0 0 6 8 1 0 0 0 0 5 3 1 0 0 0 0 18 19 2 0 0 0 0 15 23 1 0 0 0 0 30 31 1 0 0 0 0 M END > (P7119480444) P7119480444 > (P7119480444) 0 > (P7119480444) 4 > (P7119480444) 4 > (P7119480444) 4.600000000000000e+000 > (P7119480444) 5 > (P7119480444) 6.300000000000000e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 6.9417 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6792 -2.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6750 -1.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4667 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4542 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -2.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7667 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -5.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -0.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1750 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 6 2 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 17 1 0 0 0 0 17 15 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 9 1 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 20 1 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 25 2 0 0 0 0 2 3 1 0 0 0 0 8 5 1 0 0 0 0 16 18 2 0 0 0 0 27 26 1 0 0 0 0 M END > (P7119480447) P7119480447 > (P7119480447) 0 > (P7119480447) 4 > (P7119480447) 4 > (P7119480447) 3.700000000000000e+000 > (P7119480447) 4 > (P7119480447) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 6.1750 -6.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1667 -5.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9625 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -6.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9000 -6.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9500 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -6.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1375 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -7.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -9.9792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -6.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 4 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 18 1 0 0 0 0 17 14 1 0 0 0 0 18 15 2 0 0 0 0 19 16 1 0 0 0 0 20 23 1 0 0 0 0 21 11 2 0 0 0 0 22 11 1 0 0 0 0 23 13 1 0 0 0 0 24 20 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 7 5 1 0 0 0 0 4 6 1 0 0 0 0 17 16 2 0 0 0 0 26 27 2 0 0 0 0 M END > (P7119480449) P7119480449 > (P7119480449) 0 > (P7119480449) 5 > (P7119480449) 5 > (P7119480449) 2.400000000000000e+000 > (P7119480449) 4 > (P7119480449) 5.910000000000000e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 4.0250 -3.6750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0167 -2.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8042 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -3.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7417 -3.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7917 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -3.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2292 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 3 2 0 0 0 0 12 5 1 0 0 0 0 13 10 2 0 0 0 0 14 6 2 0 0 0 0 15 9 2 0 0 0 0 16 17 2 0 0 0 0 17 15 1 0 0 0 0 18 4 1 0 0 0 0 19 13 1 0 0 0 0 20 16 1 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 19 1 0 0 0 0 24 18 1 0 0 0 0 25 24 1 0 0 0 0 26 22 1 0 0 0 0 27 21 2 0 0 0 0 28 26 2 0 0 0 0 8 5 1 0 0 0 0 4 6 1 0 0 0 0 13 16 1 0 0 0 0 27 28 1 0 0 0 0 M END > (P7119480497) P7119480497 > (P7119480497) 1 > (P7119480497) 6 > (P7119480497) 5 > (P7119480497) 2.900000000000000e+000 > (P7119480497) 4 > (P7119480497) 7.930000000000001e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 6.1750 -6.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1667 -5.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9625 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -6.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9000 -6.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9500 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -6.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2250 -7.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -9.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 8 1 0 0 0 0 13 15 1 0 0 0 0 14 4 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 17 10 1 0 0 0 0 18 10 2 0 0 0 0 19 12 2 0 0 0 0 20 12 1 0 0 0 0 21 14 1 0 0 0 0 22 21 1 0 0 0 0 23 17 2 0 0 0 0 24 18 1 0 0 0 0 25 24 2 0 0 0 0 7 5 1 0 0 0 0 4 6 1 0 0 0 0 16 13 2 0 0 0 0 23 25 1 0 0 0 0 M END > (P7119480502) P7119480502 > (P7119480502) 0 > (P7119480502) 5 > (P7119480502) 4 > (P7119480502) 2.000000000000000e+000 > (P7119480502) 4 > (P7119480502) 6.270000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 7.4417 -1.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1792 -1.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1750 -1.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9667 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -1.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9542 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -2.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2667 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -4.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -2.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0792 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 8 1 0 0 0 0 14 17 1 0 0 0 0 15 9 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 18 11 1 0 0 0 0 19 11 2 0 0 0 0 20 13 2 0 0 0 0 21 13 1 0 0 0 0 22 15 1 0 0 0 0 23 15 1 0 0 0 0 24 19 1 0 0 0 0 25 18 2 0 0 0 0 26 24 2 0 0 0 0 2 3 1 0 0 0 0 8 5 1 0 0 0 0 14 16 2 0 0 0 0 26 25 1 0 0 0 0 M END > (P7119480503) P7119480503 > (P7119480503) 0 > (P7119480503) 5 > (P7119480503) 4 > (P7119480503) 2.400000000000000e+000 > (P7119480503) 4 > (P7119480503) 6.270000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 5.9667 -6.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9625 -5.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7542 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -6.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6917 -6.3375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7417 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -7.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0167 -7.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -9.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 8 1 0 0 0 0 13 16 1 0 0 0 0 14 4 1 0 0 0 0 15 22 1 0 0 0 0 16 21 2 0 0 0 0 17 20 1 0 0 0 0 18 10 1 0 0 0 0 19 10 2 0 0 0 0 20 12 2 0 0 0 0 21 12 1 0 0 0 0 22 14 1 0 0 0 0 23 15 1 0 0 0 0 24 19 1 0 0 0 0 25 18 2 0 0 0 0 26 24 2 0 0 0 0 7 5 1 0 0 0 0 4 6 1 0 0 0 0 17 13 2 0 0 0 0 25 26 1 0 0 0 0 M END > (P7119480507) P7119480507 > (P7119480507) 0 > (P7119480507) 6 > (P7119480507) 5 > (P7119480507) 1.000000000000000e+000 > (P7119480507) 4 > (P7119480507) 7.200000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 10.8917 -10.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1417 -8.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -7.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3750 -10.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1125 -8.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3625 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 -11.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -8.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -10.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6625 -10.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6875 -6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5667 -11.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 7 2 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 15 2 0 0 0 0 23 17 1 0 0 0 0 24 17 2 0 0 0 0 25 22 1 0 0 0 0 26 25 2 0 0 0 0 11 13 1 0 0 0 0 8 12 1 0 0 0 0 3 6 1 0 0 0 0 24 26 1 0 0 0 0 M END > (P7119520531) P7119520531 > (P7119520531) 1 > (P7119520531) 6 > (P7119520531) 2 > (P7119520531) 7.000000000000000e-001 > (P7119520531) 4 > (P7119520531) 7.530000000000000e+001 $$$$ -ISIS- 08092202382D 26 29 0 0 0 0 0 0 0 0999 V2000 10.8917 -10.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1417 -8.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -7.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3750 -10.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1125 -8.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3625 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 -11.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -8.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -10.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6625 -10.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6875 -6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -5.0667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5667 -11.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 7 2 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 12 1 0 0 0 0 21 12 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 25 1 0 0 0 0 25 16 2 0 0 0 0 26 24 2 0 0 0 0 11 13 1 0 0 0 0 8 12 1 0 0 0 0 3 6 1 0 0 0 0 18 26 1 0 0 0 0 M END > (P7119520550) P7119520550 > (P7119520550) 1 > (P7119520550) 6 > (P7119520550) 2 > (P7119520550) 4.000000000000000e-001 > (P7119520550) 4 > (P7119520550) 7.530000000000000e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 5.1542 -7.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1625 -6.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4292 -7.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9417 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -7.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9000 -7.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -6.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1292 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -8.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -7.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3292 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -7.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 6 1 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 16 1 0 0 0 0 20 12 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 7 8 1 0 0 0 0 5 3 1 0 0 0 0 18 16 1 0 0 0 0 24 23 1 0 0 0 0 M END > (P7119630130) P7119630130 > (P7119630130) 2 > (P7119630130) 5 > (P7119630130) 2 > (P7119630130) 1.500000000000000e+000 > (P7119630130) 4 > (P7119630130) 7.290000000000001e+001 $$$$ -ISIS- 08092202382D 24 27 0 0 0 0 0 0 0 0999 V2000 6.1375 -6.7875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8625 -7.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8667 -6.3750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6417 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -7.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 -6.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -6.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9625 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -5.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -3.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 16 1 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 21 1 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 17 2 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 23 1 0 0 0 0 2 3 1 0 0 0 0 7 6 1 0 0 0 0 22 24 2 0 0 0 0 13 18 2 0 0 0 0 M END > (P7119630150) P7119630150 > (P7119630150) 1 > (P7119630150) 5 > (P7119630150) 3 > (P7119630150) 3.000000000000000e-001 > (P7119630150) 4 > (P7119630150) 6.550000000000000e+001 $$$$ -ISIS- 08092202382D 22 25 0 0 0 0 0 0 0 0999 V2000 2.6625 -4.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6667 -3.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9375 -3.7792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4417 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -4.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8875 -3.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4042 -3.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.6625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -2.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -5.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -3.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8500 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 8 7 1 0 0 0 0 5 3 1 0 0 0 0 16 15 2 0 0 0 0 22 21 1 0 0 0 0 M END > (P7119630154) P7119630154 > (P7119630154) 1 > (P7119630154) 4 > (P7119630154) 2 > (P7119630154) 1.600000000000000e+000 > (P7119630154) 4 > (P7119630154) 8.090000000000002e+001 $$$$ -ISIS- 08092202382D 23 26 0 0 0 0 0 0 0 0999 V2000 7.4917 -7.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2167 -7.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2250 -6.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0042 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -7.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4417 -6.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9625 -7.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -5.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -8.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -5.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 9 2 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 6 1 0 0 0 0 18 10 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 3 2 1 0 0 0 0 6 8 1 0 0 0 0 23 22 2 0 0 0 0 16 15 2 0 0 0 0 M END > (P7119630155) P7119630155 > (P7119630155) 1 > (P7119630155) 4 > (P7119630155) 3 > (P7119630155) 1.300000000000000e+000 > (P7119630155) 4 > (P7119630155) 8.090000000000002e+001 $$$$ -ISIS- 08092202382D 20 22 0 0 0 0 0 0 0 0999 V2000 5.4250 -6.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4292 -7.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6375 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -7.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6917 -7.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -6.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2167 -7.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 13 2 0 0 0 0 19 14 1 0 0 0 0 20 19 2 0 0 0 0 5 8 2 0 0 0 0 6 4 1 0 0 0 0 20 18 1 0 0 0 0 M END > (P7119630830) P7119630830 > (P7119630830) 0 > (P7119630830) 5 > (P7119630830) 4 > (P7119630830) 2.400000000000000e+000 > (P7119630830) 3 > (P7119630830) 6.530000000000000e+001 $$$$ -ISIS- 08092202382D 27 31 0 0 0 0 0 0 0 0999 V2000 2.9542 -5.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7292 -4.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0042 -4.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5167 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -4.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5250 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -6.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -6.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 10 2 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 7 2 0 0 0 0 17 13 1 0 0 0 0 18 10 1 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 19 2 0 0 0 0 22 19 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 11 9 1 0 0 0 0 12 5 1 0 0 0 0 6 3 1 0 0 0 0 20 24 2 0 0 0 0 27 26 2 0 0 0 0 M END > (P7119631170) P7119631170 > (P7119631170) 2 > (P7119631170) 4 > (P7119631170) 3 > (P7119631170) 1.100000000000000e+000 > (P7119631170) 5 > (P7119631170) 7.850000000000000e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 5.6750 -1.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6792 -2.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9417 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4542 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8875 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -2.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7667 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -5.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6667 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 15 2 0 0 0 0 22 14 1 0 0 0 0 23 21 1 0 0 0 0 24 18 1 0 0 0 0 25 13 1 0 0 0 0 26 13 2 0 0 0 0 27 23 1 0 0 0 0 28 27 1 0 0 0 0 29 26 1 0 0 0 0 30 25 2 0 0 0 0 31 29 2 0 0 0 0 8 6 1 0 0 0 0 3 5 1 0 0 0 0 18 20 2 0 0 0 0 30 31 1 0 0 0 0 23 22 2 0 0 0 0 M END > (P7119631438) P7119631438 > (P7119631438) 0 > (P7119631438) 4 > (P7119631438) 4 > (P7119631438) 5.000000000000000e+000 > (P7119631438) 5 > (P7119631438) 4.990000000000001e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 5.1875 -5.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1792 -5.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4542 -5.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9125 -5.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9750 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -6.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3917 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -7.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -7.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -6.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7667 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 9 2 0 0 0 0 13 3 1 0 0 0 0 14 19 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 6 2 0 0 0 0 18 5 2 0 0 0 0 19 24 1 0 0 0 0 20 11 2 0 0 0 0 21 14 2 0 0 0 0 22 13 2 0 0 0 0 23 13 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 14 1 0 0 0 0 27 11 1 0 0 0 0 28 15 1 0 0 0 0 29 20 1 0 0 0 0 30 20 1 0 0 0 0 31 26 1 0 0 0 0 32 27 2 0 0 0 0 33 32 1 0 0 0 0 4 8 1 0 0 0 0 6 3 1 0 0 0 0 15 16 2 0 0 0 0 19 25 2 0 0 0 0 33 30 2 0 0 0 0 M END > (P7119631439) P7119631439 > (P7119631439) 0 > (P7119631439) 6 > (P7119631439) 5 > (P7119631439) 3.700000000000000e+000 > (P7119631439) 5 > (P7119631439) 8.930000000000000e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 1.0792 0.3958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1875 -0.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1958 0.7958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.3708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5875 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2875 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 0.3583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 1 1 0 0 0 0 11 15 1 0 0 0 0 12 8 1 0 0 0 0 13 4 2 0 0 0 0 14 6 2 0 0 0 0 15 19 1 0 0 0 0 16 11 2 0 0 0 0 17 12 2 0 0 0 0 18 12 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 9 1 0 0 0 0 22 9 2 0 0 0 0 23 26 2 0 0 0 0 24 11 1 0 0 0 0 25 10 1 0 0 0 0 26 22 1 0 0 0 0 27 21 2 0 0 0 0 28 23 1 0 0 0 0 29 24 1 0 0 0 0 30 25 2 0 0 0 0 31 25 1 0 0 0 0 32 31 2 0 0 0 0 33 30 1 0 0 0 0 34 32 1 0 0 0 0 2 3 1 0 0 0 0 5 8 1 0 0 0 0 34 33 2 0 0 0 0 15 20 2 0 0 0 0 27 23 1 0 0 0 0 M END > (P7119631445) P7119631445 > (P7119631445) 0 > (P7119631445) 6 > (P7119631445) 6 > (P7119631445) 4.400000000000000e+000 > (P7119631445) 5 > (P7119631445) 7.619999999999999e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 6.2125 -0.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2167 -1.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4792 -1.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9917 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4250 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -1.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3042 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7792 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1875 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 12 8 1 0 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 19 1 0 0 0 0 16 11 2 0 0 0 0 17 9 2 0 0 0 0 18 9 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 10 1 0 0 0 0 22 10 2 0 0 0 0 23 12 2 0 0 0 0 24 12 1 0 0 0 0 25 28 2 0 0 0 0 26 11 1 0 0 0 0 27 31 1 0 0 0 0 28 22 1 0 0 0 0 29 21 2 0 0 0 0 30 23 1 0 0 0 0 31 24 2 0 0 0 0 32 25 1 0 0 0 0 33 27 1 0 0 0 0 34 26 1 0 0 0 0 35 33 1 0 0 0 0 8 6 1 0 0 0 0 3 5 1 0 0 0 0 29 25 1 0 0 0 0 15 20 2 0 0 0 0 27 30 2 0 0 0 0 M END > (P7119631446) P7119631446 > (P7119631446) 0 > (P7119631446) 7 > (P7119631446) 6 > (P7119631446) 4.400000000000000e+000 > (P7119631446) 5 > (P7119631446) 8.540000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 4.8875 -1.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8917 -2.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1542 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6167 -1.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6667 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7917 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -5.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 8 1 0 0 0 0 13 5 2 0 0 0 0 14 6 2 0 0 0 0 15 20 1 0 0 0 0 16 9 2 0 0 0 0 17 11 2 0 0 0 0 18 10 2 0 0 0 0 19 10 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 12 2 0 0 0 0 23 12 1 0 0 0 0 24 27 1 0 0 0 0 25 11 1 0 0 0 0 26 22 1 0 0 0 0 27 23 2 0 0 0 0 28 24 1 0 0 0 0 29 9 1 0 0 0 0 30 16 1 0 0 0 0 31 16 1 0 0 0 0 32 25 1 0 0 0 0 33 29 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 8 4 1 0 0 0 0 3 6 1 0 0 0 0 15 21 2 0 0 0 0 24 26 2 0 0 0 0 35 31 2 0 0 0 0 M END > (P7119631449) P7119631449 > (P7119631449) 0 > (P7119631449) 6 > (P7119631449) 6 > (P7119631449) 4.800000000000000e+000 > (P7119631449) 5 > (P7119631449) 7.619999999999999e+001 $$$$ -ISIS- 08092202382D 31 35 0 0 0 0 0 0 0 0999 V2000 4.9917 -7.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0000 -6.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2667 -6.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7792 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -6.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2167 -7.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2167 -6.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -5.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -8.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -6.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -9.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -8.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 16 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 23 1 0 0 0 0 17 9 2 0 0 0 0 18 11 2 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 10 2 0 0 0 0 22 10 1 0 0 0 0 23 22 2 0 0 0 0 24 21 1 0 0 0 0 25 11 1 0 0 0 0 26 14 2 0 0 0 0 27 14 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 2 0 0 0 0 31 30 1 0 0 0 0 8 6 1 0 0 0 0 3 5 1 0 0 0 0 20 19 2 0 0 0 0 24 16 2 0 0 0 0 29 31 2 0 0 0 0 M END > (P7119631482) P7119631482 > (P7119631482) 0 > (P7119631482) 6 > (P7119631482) 5 > (P7119631482) 3.000000000000000e+000 > (P7119631482) 5 > (P7119631482) 8.930000000000000e+001 $$$$ -ISIS- 08092202382D 22 25 0 0 0 0 0 0 0 0999 V2000 4.8625 -6.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8542 -7.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1292 -7.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0792 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -7.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -7.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8292 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -4.9417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -8.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -7.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0417 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 3 1 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 8 1 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 7 8 1 0 0 0 0 6 3 1 0 0 0 0 15 16 2 0 0 0 0 21 22 1 0 0 0 0 M END > (P7119631483) P7119631483 > (P7119631483) 0 > (P7119631483) 4 > (P7119631483) 2 > (P7119631483) 2.300000000000000e+000 > (P7119631483) 4 > (P7119631483) 8.119999999999999e+001 $$$$ -ISIS- 08092202382D 33 37 0 0 0 0 0 0 0 0999 V2000 7.0292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -4.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7792 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -3.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2167 -4.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2125 -5.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -2.3292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9917 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 5 2 0 0 0 0 16 11 1 0 0 0 0 17 29 1 0 0 0 0 18 6 2 0 0 0 0 19 12 2 0 0 0 0 20 13 1 0 0 0 0 21 4 1 0 0 0 0 22 3 1 0 0 0 0 23 14 2 0 0 0 0 24 23 1 0 0 0 0 25 19 1 0 0 0 0 26 32 1 0 0 0 0 27 22 1 0 0 0 0 28 10 1 0 0 0 0 29 27 1 0 0 0 0 30 17 1 0 0 0 0 31 17 1 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 3 5 1 0 0 0 0 25 20 2 0 0 0 0 9 11 2 0 0 0 0 16 24 2 0 0 0 0 33 26 1 0 0 0 0 M END > (P7119641023) P7119641023 > (P7119641023) 1 > (P7119641023) 6 > (P7119641023) 7 > (P7119641023) 1.600000000000000e+000 > (P7119641023) 5 > (P7119641023) 1.156000000000000e+002 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 6.7292 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -5.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1167 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4667 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -6.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5042 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -1.9250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -1.1000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1667 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -2.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -5.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7917 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 4 2 1 0 0 0 0 5 9 1 0 0 0 0 6 1 2 0 0 0 0 7 11 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 3 2 0 0 0 0 12 15 1 0 0 0 0 13 9 1 0 0 0 0 14 4 1 0 0 0 0 15 17 2 0 0 0 0 16 2 1 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 19 8 2 0 0 0 0 20 10 2 0 0 0 0 21 12 2 0 0 0 0 22 16 2 0 0 0 0 23 22 1 0 0 0 0 24 6 1 0 0 0 0 25 5 1 0 0 0 0 26 25 1 0 0 0 0 27 11 1 0 0 0 0 28 32 1 0 0 0 0 29 13 2 0 0 0 0 30 33 2 0 0 0 0 31 14 1 0 0 0 0 32 26 1 0 0 0 0 33 29 1 0 0 0 0 34 28 1 0 0 0 0 35 28 1 0 0 0 0 5 8 1 0 0 0 0 7 4 2 0 0 0 0 30 15 1 0 0 0 0 14 23 2 0 0 0 0 M CHG 2 12 1 18 -1 M END > (P7119641238) P7119641238 > (P7119641238) 1 > (P7119641238) 7 > (P7119641238) 8 > (P7119641238) 2.400000000000000e+000 > (P7119641238) 4 > (P7119641238) 1.240000000000000e+002 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 6.7292 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -5.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1167 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4667 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -6.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0417 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0792 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -5.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.5625 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 9 1 0 0 0 0 4 2 1 0 0 0 0 5 10 1 0 0 0 0 6 1 2 0 0 0 0 7 11 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 10 1 0 0 0 0 15 8 2 0 0 0 0 16 9 2 0 0 0 0 17 13 2 0 0 0 0 18 19 1 0 0 0 0 19 25 2 0 0 0 0 20 17 1 0 0 0 0 21 6 1 0 0 0 0 22 5 1 0 0 0 0 23 14 1 0 0 0 0 24 14 2 0 0 0 0 25 24 1 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 11 1 0 0 0 0 29 31 1 0 0 0 0 30 12 1 0 0 0 0 31 27 1 0 0 0 0 32 18 1 0 0 0 0 33 18 1 0 0 0 0 34 18 1 0 0 0 0 35 29 1 0 0 0 0 36 29 1 0 0 0 0 5 8 1 0 0 0 0 26 19 1 0 0 0 0 7 4 2 0 0 0 0 12 20 2 0 0 0 0 M END > (P7119641246) P7119641246 > (P7119641246) 1 > (P7119641246) 5 > (P7119641246) 8 > (P7119641246) 3.900000000000000e+000 > (P7119641246) 4 > (P7119641246) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 36 39 0 0 0 0 0 0 0 0999 V2000 6.7292 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -5.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1167 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0625 -4.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4667 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -6.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -5.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0792 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 11 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 3 2 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 2 1 0 0 0 0 15 12 1 0 0 0 0 16 12 2 0 0 0 0 17 9 2 0 0 0 0 18 10 2 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 7 1 0 0 0 0 22 5 1 0 0 0 0 23 15 2 0 0 0 0 24 22 1 0 0 0 0 25 16 1 0 0 0 0 26 11 1 0 0 0 0 27 32 1 0 0 0 0 28 25 2 0 0 0 0 29 15 1 0 0 0 0 30 25 1 0 0 0 0 31 13 1 0 0 0 0 32 24 1 0 0 0 0 33 27 1 0 0 0 0 34 27 1 0 0 0 0 35 29 1 0 0 0 0 36 30 1 0 0 0 0 5 9 1 0 0 0 0 8 4 2 0 0 0 0 23 28 1 0 0 0 0 13 20 2 0 0 0 0 M END > (P7119641250) P7119641250 > (P7119641250) 1 > (P7119641250) 7 > (P7119641250) 9 > (P7119641250) 2.500000000000000e+000 > (P7119641250) 4 > (P7119641250) 9.660000000000002e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 2.7875 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -6.5750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -6.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7042 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -6.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2042 -7.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -8.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -7.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7417 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -8.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -8.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -5.2417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 6 2 0 0 0 0 15 11 1 0 0 0 0 16 27 1 0 0 0 0 17 7 2 0 0 0 0 18 12 1 0 0 0 0 19 4 1 0 0 0 0 20 3 1 0 0 0 0 21 13 2 0 0 0 0 22 21 1 0 0 0 0 23 31 1 0 0 0 0 24 20 1 0 0 0 0 25 10 1 0 0 0 0 26 18 1 0 0 0 0 27 24 1 0 0 0 0 28 12 2 0 0 0 0 29 16 1 0 0 0 0 30 16 1 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 33 18 2 0 0 0 0 34 28 1 0 0 0 0 35 34 2 0 0 0 0 3 6 1 0 0 0 0 9 11 2 0 0 0 0 35 33 1 0 0 0 0 15 22 2 0 0 0 0 32 23 1 0 0 0 0 M END > (P7119641324) P7119641324 > (P7119641324) 1 > (P7119641324) 6 > (P7119641324) 7 > (P7119641324) 1.900000000000000e+000 > (P7119641324) 5 > (P7119641324) 8.740000000000001e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 6.7417 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -4.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0792 -4.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4917 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -4.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9167 -6.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -5.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -5.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6542 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 6 2 0 0 0 0 16 11 1 0 0 0 0 17 7 2 0 0 0 0 18 13 2 0 0 0 0 19 5 1 0 0 0 0 20 3 1 0 0 0 0 21 14 2 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 24 12 2 0 0 0 0 25 13 1 0 0 0 0 26 10 1 0 0 0 0 27 29 1 0 0 0 0 28 18 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 30 2 0 0 0 0 32 27 1 0 0 0 0 33 27 1 0 0 0 0 34 25 1 0 0 0 0 35 28 1 0 0 0 0 3 6 1 0 0 0 0 9 11 2 0 0 0 0 31 18 1 0 0 0 0 16 22 2 0 0 0 0 M END > (P7119642451) P7119642451 > (P7119642451) 1 > (P7119642451) 7 > (P7119642451) 9 > (P7119642451) 2.000000000000000e+000 > (P7119642451) 4 > (P7119642451) 9.660000000000002e+001 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 6.7500 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -4.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5042 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -4.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0792 -4.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9292 -5.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -5.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1000 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 10 1 0 0 0 0 10 2 2 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 5 2 0 0 0 0 15 11 1 0 0 0 0 16 6 2 0 0 0 0 17 4 1 0 0 0 0 18 3 1 0 0 0 0 19 13 2 0 0 0 0 20 19 1 0 0 0 0 21 12 2 0 0 0 0 22 12 1 0 0 0 0 23 18 1 0 0 0 0 24 10 1 0 0 0 0 25 30 1 0 0 0 0 26 28 1 0 0 0 0 27 21 1 0 0 0 0 28 22 2 0 0 0 0 29 26 1 0 0 0 0 30 23 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 33 29 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 3 5 1 0 0 0 0 27 26 2 0 0 0 0 9 11 2 0 0 0 0 15 20 2 0 0 0 0 M END > (P7119642454) P7119642454 > (P7119642454) 1 > (P7119642454) 6 > (P7119642454) 10 > (P7119642454) 2.900000000000000e+000 > (P7119642454) 4 > (P7119642454) 8.740000000000001e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 6.7417 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -4.5250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5000 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -4.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9292 -4.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9250 -5.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5667 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -5.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3667 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 5 2 0 0 0 0 15 11 1 0 0 0 0 16 6 2 0 0 0 0 17 4 1 0 0 0 0 18 25 2 0 0 0 0 19 3 1 0 0 0 0 20 13 2 0 0 0 0 21 20 1 0 0 0 0 22 19 1 0 0 0 0 23 10 1 0 0 0 0 24 26 1 0 0 0 0 25 12 1 0 0 0 0 26 22 1 0 0 0 0 27 12 2 0 0 0 0 28 31 2 0 0 0 0 29 24 1 0 0 0 0 30 24 1 0 0 0 0 31 27 1 0 0 0 0 3 5 1 0 0 0 0 9 11 2 0 0 0 0 18 28 1 0 0 0 0 15 21 2 0 0 0 0 M END > (P7119642456) P7119642456 > (P7119642456) 1 > (P7119642456) 6 > (P7119642456) 7 > (P7119642456) 9.000000000000000e-001 > (P7119642456) 4 > (P7119642456) 9.100000000000000e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 7.1292 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -2.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8667 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -2.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0500 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -2.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3000 -4.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 2 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 8 1 0 0 0 0 18 6 2 0 0 0 0 19 12 1 0 0 0 0 20 7 2 0 0 0 0 21 4 1 0 0 0 0 22 3 1 0 0 0 0 23 17 2 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 26 10 1 0 0 0 0 27 28 1 0 0 0 0 28 25 1 0 0 0 0 29 15 1 0 0 0 0 30 27 1 0 0 0 0 31 27 1 0 0 0 0 3 6 1 0 0 0 0 9 12 2 0 0 0 0 16 15 2 0 0 0 0 19 24 2 0 0 0 0 M END > (P7119642458) P7119642458 > (P7119642458) 1 > (P7119642458) 5 > (P7119642458) 7 > (P7119642458) 1.500000000000000e+000 > (P7119642458) 4 > (P7119642458) 9.129999999999998e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 6.8667 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6167 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -4.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6542 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -4.5375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0417 -5.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6792 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -5.0792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7792 -1.5292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 6 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 5 2 0 0 0 0 15 11 1 0 0 0 0 16 7 2 0 0 0 0 17 12 1 0 0 0 0 18 4 1 0 0 0 0 19 3 1 0 0 0 0 20 13 2 0 0 0 0 21 20 1 0 0 0 0 22 19 1 0 0 0 0 23 17 2 0 0 0 0 24 10 1 0 0 0 0 25 28 1 0 0 0 0 26 23 1 0 0 0 0 27 12 2 0 0 0 0 28 22 1 0 0 0 0 29 27 1 0 0 0 0 30 25 1 0 0 0 0 31 25 1 0 0 0 0 32 29 2 0 0 0 0 33 31 1 0 0 0 0 34 30 1 0 0 0 0 3 5 1 0 0 0 0 9 11 2 0 0 0 0 32 23 1 0 0 0 0 15 21 2 0 0 0 0 M END > (P7119642474) P7119642474 > (P7119642474) 1 > (P7119642474) 5 > (P7119642474) 9 > (P7119642474) 2.900000000000000e+000 > (P7119642474) 4 > (P7119642474) 7.809999999999999e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 4.9042 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.6042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3750 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -4.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0917 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 7 1 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 8 2 0 0 0 0 18 10 2 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 7 1 0 0 0 0 24 13 2 0 0 0 0 25 12 2 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 24 1 0 0 0 0 29 26 1 0 0 0 0 30 28 2 0 0 0 0 4 3 2 0 0 0 0 21 22 1 0 0 0 0 12 8 1 0 0 0 0 25 30 1 0 0 0 0 M END > (P7119680205) P7119680205 > (P7119680205) 1 > (P7119680205) 5 > (P7119680205) 5 > (P7119680205) 4.500000000000000e+000 > (P7119680205) 4 > (P7119680205) 1.099000000000000e+002 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 2.9917 -0.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2667 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 2 2 0 0 0 0 11 4 2 0 0 0 0 12 9 1 0 0 0 0 13 1 1 0 0 0 0 14 12 1 0 0 0 0 15 7 2 0 0 0 0 16 6 2 0 0 0 0 17 9 2 0 0 0 0 18 12 2 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 17 1 0 0 0 0 24 23 2 0 0 0 0 6 2 1 0 0 0 0 16 22 1 0 0 0 0 18 24 1 0 0 0 0 M END > (P7119680338) P7119680338 > (P7119680338) 1 > (P7119680338) 4 > (P7119680338) 4 > (P7119680338) 3.200000000000000e+000 > (P7119680338) 3 > (P7119680338) 6.459999999999999e+001 $$$$ -ISIS- 08092202382D 23 26 0 0 0 0 0 0 0 0999 V2000 5.7917 -3.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9792 -3.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -2.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0167 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -4.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6500 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -1.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 5 1 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 15 1 0 0 0 0 19 11 1 0 0 0 0 20 8 1 0 0 0 0 21 14 2 0 0 0 0 22 11 2 0 0 0 0 23 19 1 0 0 0 0 9 7 1 0 0 0 0 5 6 2 0 0 0 0 21 22 1 0 0 0 0 17 15 1 0 0 0 0 M END > (P7119681080) P7119681080 > (P7119681080) 0 > (P7119681080) 4 > (P7119681080) 2 > (P7119681080) 3.700000000000000e+000 > (P7119681080) 4 > (P7119681080) 3.409999999999999e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 0.9417 -4.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1375 -4.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -3.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3542 -4.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1750 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -2.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -5.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 20 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 6 1 0 0 0 0 17 18 1 0 0 0 0 18 15 2 0 0 0 0 19 14 1 0 0 0 0 20 11 2 0 0 0 0 21 12 1 0 0 0 0 22 17 1 0 0 0 0 23 16 2 0 0 0 0 24 11 1 0 0 0 0 25 12 2 0 0 0 0 26 29 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 24 2 0 0 0 0 30 27 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 19 17 2 0 0 0 0 25 23 1 0 0 0 0 26 13 2 0 0 0 0 M END > (P7119681465) P7119681465 > (P7119681465) 0 > (P7119681465) 6 > (P7119681465) 5 > (P7119681465) 3.800000000000000e+000 > (P7119681465) 5 > (P7119681465) 5.619999999999999e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 1.4292 -0.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6250 0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8417 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6625 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 1.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 11 2 0 0 0 0 14 8 1 0 0 0 0 15 18 2 0 0 0 0 16 10 2 0 0 0 0 17 21 1 0 0 0 0 18 16 1 0 0 0 0 19 6 1 0 0 0 0 20 13 1 0 0 0 0 21 12 2 0 0 0 0 22 14 1 0 0 0 0 23 15 1 0 0 0 0 24 19 2 0 0 0 0 25 12 1 0 0 0 0 26 14 2 0 0 0 0 27 31 1 0 0 0 0 28 22 1 0 0 0 0 29 20 1 0 0 0 0 30 23 1 0 0 0 0 31 25 2 0 0 0 0 32 28 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 13 15 1 0 0 0 0 26 24 1 0 0 0 0 27 17 2 0 0 0 0 M END > (P7119681467) P7119681467 > (P7119681467) 0 > (P7119681467) 7 > (P7119681467) 6 > (P7119681467) 3.800000000000000e+000 > (P7119681467) 5 > (P7119681467) 6.540000000000001e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 10.8917 -10.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1417 -8.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -7.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3750 -10.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1125 -8.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3625 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -7.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 -11.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -8.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -10.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6625 -10.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6875 -6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -7.1917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -8.4625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -8.2417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5667 -11.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 11 4 1 0 0 0 0 12 1 1 0 0 0 0 13 2 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 7 1 0 0 0 0 17 16 1 0 0 0 0 18 7 2 0 0 0 0 19 9 1 0 0 0 0 20 9 1 0 0 0 0 21 9 1 0 0 0 0 22 10 2 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 15 1 0 0 0 0 26 15 1 0 0 0 0 27 17 2 0 0 0 0 28 29 2 0 0 0 0 29 27 1 0 0 0 0 13 15 1 0 0 0 0 8 14 1 0 0 0 0 3 6 1 0 0 0 0 22 28 1 0 0 0 0 M END > (P7119740007) P7119740007 > (P7119740007) 1 > (P7119740007) 6 > (P7119740007) 3 > (P7119740007) 1.200000000000000e+000 > (P7119740007) 4 > (P7119740007) 7.530000000000000e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 10.8917 -10.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1417 -8.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -7.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3750 -10.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1125 -8.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3625 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 -11.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -8.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -10.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6625 -10.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6875 -6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -7.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5667 -11.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 7 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 12 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 15 2 0 0 0 0 24 17 2 0 0 0 0 25 18 1 0 0 0 0 26 23 1 0 0 0 0 27 26 2 0 0 0 0 11 13 1 0 0 0 0 8 12 1 0 0 0 0 3 6 1 0 0 0 0 24 27 1 0 0 0 0 M END > (P7119740008) P7119740008 > (P7119740008) 1 > (P7119740008) 7 > (P7119740008) 3 > (P7119740008) 8.000000000000000e-001 > (P7119740008) 4 > (P7119740008) 1.006000000000000e+002 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 10.8917 -10.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1417 -8.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8875 -7.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3750 -10.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1125 -8.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3625 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 -11.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -8.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 -10.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6625 -10.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6875 -6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -1.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -7.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5667 -11.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 7 2 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 17 1 0 0 0 0 24 12 1 0 0 0 0 25 12 1 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 23 1 0 0 0 0 11 13 1 0 0 0 0 8 12 1 0 0 0 0 3 6 1 0 0 0 0 20 21 2 0 0 0 0 M END > (P7119740009) P7119740009 > (P7119740009) 1 > (P7119740009) 7 > (P7119740009) 3 > (P7119740009) 9.000000000000000e-001 > (P7119740009) 4 > (P7119740009) 8.450000000000001e+001 $$$$ -ISIS- 08092202382D 25 28 0 0 0 0 0 0 0 0999 V2000 11.1292 -9.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4250 -7.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5417 -9.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1250 -6.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2417 -7.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5292 -6.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6500 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 -10.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -10.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -7.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6417 -9.1750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0042 -9.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4167 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -5.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -6.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6375 -10.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 17 15 1 0 0 0 0 18 13 2 0 0 0 0 19 16 2 0 0 0 0 20 19 1 0 0 0 0 21 14 1 0 0 0 0 22 11 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 12 1 0 0 0 0 10 12 1 0 0 0 0 7 11 1 0 0 0 0 4 6 1 0 0 0 0 20 17 2 0 0 0 0 M END > (P7119740012) P7119740012 > (P7119740012) 1 > (P7119740012) 6 > (P7119740012) 3 > (P7119740012) 0.000000000000000e+000 > (P7119740012) 4 > (P7119740012) 1.035000000000000e+002 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 11.2292 -9.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5375 -8.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2250 -7.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6167 -9.8125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3042 -8.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6000 -7.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6792 -8.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3125 -11.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -9.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1500 -10.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1667 -6.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -7.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -9.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6625 -11.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -11.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -9.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 7 2 0 0 0 0 19 15 2 0 0 0 0 20 21 2 0 0 0 0 21 19 1 0 0 0 0 22 16 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 27 1 0 0 0 0 11 13 1 0 0 0 0 8 12 1 0 0 0 0 3 6 1 0 0 0 0 17 20 1 0 0 0 0 M END > (P7119740014) P7119740014 > (P7119740014) 1 > (P7119740014) 8 > (P7119740014) 4 > (P7119740014) 2.000000000000000e-001 > (P7119740014) 4 > (P7119740014) 9.370000000000002e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 11.2292 -10.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5375 -9.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2250 -8.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6167 -10.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3042 -9.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6000 -8.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6792 -9.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3125 -11.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -11.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -10.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1500 -10.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1667 -7.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6625 -12.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -10.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 7 2 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 18 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 17 1 0 0 0 0 27 18 1 0 0 0 0 13 11 1 0 0 0 0 12 8 1 0 0 0 0 6 3 1 0 0 0 0 21 17 2 0 0 0 0 M END > (P7119740017) P7119740017 > (P7119740017) 1 > (P7119740017) 6 > (P7119740017) 2 > (P7119740017) 1.200000000000000e+000 > (P7119740017) 4 > (P7119740017) 7.530000000000000e+001 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 11.2292 -10.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5375 -9.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2250 -8.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6167 -10.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3042 -9.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6000 -8.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6792 -9.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3125 -11.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -11.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -10.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1500 -10.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1667 -7.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -2.5125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6625 -12.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -10.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 18 7 2 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 21 15 1 0 0 0 0 22 17 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 19 1 0 0 0 0 11 13 1 0 0 0 0 8 12 1 0 0 0 0 3 6 1 0 0 0 0 15 19 2 0 0 0 0 M END > (P7119740018) P7119740018 > (P7119740018) 1 > (P7119740018) 6 > (P7119740018) 2 > (P7119740018) 9.000000000000000e-001 > (P7119740018) 4 > (P7119740018) 7.530000000000000e+001 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 5.0167 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -2.3375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7292 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -3.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -3.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -4.8125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1667 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 8 1 0 0 0 0 18 20 2 0 0 0 0 19 7 1 0 0 0 0 20 14 1 0 0 0 0 21 13 2 0 0 0 0 22 16 1 0 0 0 0 23 15 2 0 0 0 0 24 22 2 0 0 0 0 25 18 1 0 0 0 0 26 17 1 0 0 0 0 27 17 1 0 0 0 0 28 24 1 0 0 0 0 29 25 1 0 0 0 0 30 28 1 0 0 0 0 7 4 2 0 0 0 0 21 18 1 0 0 0 0 23 24 1 0 0 0 0 M END > (P7119791718) P7119791718 > (P7119791718) 1 > (P7119791718) 5 > (P7119791718) 6 > (P7119791718) 5.000000000000000e+000 > (P7119791718) 3 > (P7119791718) 7.100000000000000e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 4.8250 -1.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4542 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2542 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -2.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5292 -1.3667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -0.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -4.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 3 2 0 0 0 0 17 11 2 0 0 0 0 18 14 2 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 20 2 0 0 0 0 22 25 1 0 0 0 0 23 19 2 0 0 0 0 24 19 1 0 0 0 0 25 24 2 0 0 0 0 26 23 1 0 0 0 0 27 11 1 0 0 0 0 28 22 1 0 0 0 0 29 14 1 0 0 0 0 30 20 1 0 0 0 0 31 28 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 15 21 1 0 0 0 0 26 22 2 0 0 0 0 M END > (P7119812467) P7119812467 > (P7119812467) 1 > (P7119812467) 6 > (P7119812467) 4 > (P7119812467) 2.900000000000000e+000 > (P7119812467) 4 > (P7119812467) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 5.6917 -1.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3250 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1167 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -1.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -2.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8042 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 3 2 0 0 0 0 16 11 2 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 12 1 0 0 0 0 20 19 2 0 0 0 0 21 23 1 0 0 0 0 22 21 1 0 0 0 0 23 18 1 0 0 0 0 24 11 1 0 0 0 0 25 13 1 0 0 0 0 26 19 1 0 0 0 0 27 22 2 0 0 0 0 28 22 1 0 0 0 0 29 28 2 0 0 0 0 30 27 1 0 0 0 0 31 29 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 14 20 1 0 0 0 0 30 31 2 0 0 0 0 M END > (P7119812471) P7119812471 > (P7119812471) 1 > (P7119812471) 6 > (P7119812471) 5 > (P7119812471) 2.900000000000000e+000 > (P7119812471) 4 > (P7119812471) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 5.1375 -1.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7667 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -2.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8417 -1.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 5 1 0 0 0 0 14 4 2 0 0 0 0 15 10 1 0 0 0 0 16 3 2 0 0 0 0 17 19 2 0 0 0 0 18 11 2 0 0 0 0 19 14 1 0 0 0 0 20 15 2 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 21 1 0 0 0 0 24 11 1 0 0 0 0 25 15 1 0 0 0 0 26 19 1 0 0 0 0 27 23 2 0 0 0 0 28 23 1 0 0 0 0 29 28 2 0 0 0 0 30 27 1 0 0 0 0 31 29 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 17 1 0 0 0 0 30 31 2 0 0 0 0 M END > (P7119812478) P7119812478 > (P7119812478) 1 > (P7119812478) 5 > (P7119812478) 4 > (P7119812478) 3.700000000000000e+000 > (P7119812478) 4 > (P7119812478) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.6917 -2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3250 -1.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1167 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -3.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3917 -1.9125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -0.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.3292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 3 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 22 1 0 0 0 0 21 5 1 0 0 0 0 22 24 1 0 0 0 0 23 20 1 0 0 0 0 24 26 1 0 0 0 0 25 12 1 0 0 0 0 26 21 1 0 0 0 0 27 11 1 0 0 0 0 28 14 1 0 0 0 0 29 18 1 0 0 0 0 30 20 2 0 0 0 0 31 22 2 0 0 0 0 32 33 2 0 0 0 0 33 31 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 16 1 0 0 0 0 30 32 1 0 0 0 0 M END > (P7119812479) P7119812479 > (P7119812479) 1 > (P7119812479) 6 > (P7119812479) 5 > (P7119812479) 4.100000000000000e+000 > (P7119812479) 4 > (P7119812479) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 5.6917 -2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3250 -1.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1167 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -3.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3917 -1.9125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -0.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -1.9417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 3 2 0 0 0 0 17 11 2 0 0 0 0 18 14 2 0 0 0 0 19 13 1 0 0 0 0 20 12 1 0 0 0 0 21 19 2 0 0 0 0 22 19 1 0 0 0 0 23 26 1 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 11 1 0 0 0 0 29 14 1 0 0 0 0 30 23 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 15 21 1 0 0 0 0 27 23 2 0 0 0 0 M END > (P7119812481) P7119812481 > (P7119812481) 1 > (P7119812481) 5 > (P7119812481) 3 > (P7119812481) 3.600000000000000e+000 > (P7119812481) 4 > (P7119812481) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.3625 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7917 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6750 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -6.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0042 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 5 2 0 0 0 0 15 11 1 0 0 0 0 16 9 2 0 0 0 0 17 13 2 0 0 0 0 18 3 2 0 0 0 0 19 17 1 0 0 0 0 20 12 2 0 0 0 0 21 15 2 0 0 0 0 22 14 1 0 0 0 0 23 22 2 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 19 1 0 0 0 0 27 15 1 0 0 0 0 28 17 1 0 0 0 0 29 22 1 0 0 0 0 30 26 1 0 0 0 0 31 26 1 0 0 0 0 32 25 2 0 0 0 0 33 32 1 0 0 0 0 9 4 1 0 0 0 0 7 8 2 0 0 0 0 16 23 1 0 0 0 0 28 33 2 0 0 0 0 M END > (P7119812489) P7119812489 > (P7119812489) 1 > (P7119812489) 6 > (P7119812489) 5 > (P7119812489) 3.600000000000000e+000 > (P7119812489) 4 > (P7119812489) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.3625 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7917 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0667 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -6.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8042 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 3 2 0 0 0 0 17 11 2 0 0 0 0 18 14 2 0 0 0 0 19 21 1 0 0 0 0 20 12 1 0 0 0 0 21 26 2 0 0 0 0 22 13 1 0 0 0 0 23 22 2 0 0 0 0 24 20 1 0 0 0 0 25 20 2 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 28 11 1 0 0 0 0 29 14 1 0 0 0 0 30 19 1 0 0 0 0 31 22 1 0 0 0 0 32 30 1 0 0 0 0 33 30 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 15 23 1 0 0 0 0 27 21 1 0 0 0 0 M END > (P7119812490) P7119812490 > (P7119812490) 1 > (P7119812490) 6 > (P7119812490) 5 > (P7119812490) 3.600000000000000e+000 > (P7119812490) 4 > (P7119812490) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 5.4292 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0625 -1.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8542 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7417 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -0.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -5.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 5 2 0 0 0 0 15 11 1 0 0 0 0 16 9 2 0 0 0 0 17 3 2 0 0 0 0 18 13 2 0 0 0 0 19 12 2 0 0 0 0 20 15 2 0 0 0 0 21 14 1 0 0 0 0 22 21 2 0 0 0 0 23 18 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 15 1 0 0 0 0 27 18 1 0 0 0 0 28 21 1 0 0 0 0 29 25 2 0 0 0 0 30 29 1 0 0 0 0 9 4 1 0 0 0 0 7 8 2 0 0 0 0 16 22 1 0 0 0 0 27 30 2 0 0 0 0 M END > (P7119812491) P7119812491 > (P7119812491) 1 > (P7119812491) 5 > (P7119812491) 3 > (P7119812491) 3.500000000000000e+000 > (P7119812491) 4 > (P7119812491) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.4292 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0625 -1.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8542 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5417 -0.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -5.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 3 2 0 0 0 0 16 11 2 0 0 0 0 17 13 2 0 0 0 0 18 23 1 0 0 0 0 19 18 1 0 0 0 0 20 7 1 0 0 0 0 21 12 1 0 0 0 0 22 21 2 0 0 0 0 23 24 1 0 0 0 0 24 20 1 0 0 0 0 25 11 1 0 0 0 0 26 13 1 0 0 0 0 27 19 1 0 0 0 0 28 18 2 0 0 0 0 29 19 2 0 0 0 0 30 21 1 0 0 0 0 31 32 2 0 0 0 0 32 28 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 14 22 1 0 0 0 0 29 31 1 0 0 0 0 M END > (P7119812493) P7119812493 > (P7119812493) 1 > (P7119812493) 6 > (P7119812493) 5 > (P7119812493) 3.400000000000000e+000 > (P7119812493) 4 > (P7119812493) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.6750 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7917 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 3 2 0 0 0 0 16 11 2 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 12 1 0 0 0 0 20 19 2 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 23 21 2 0 0 0 0 24 25 1 0 0 0 0 25 18 1 0 0 0 0 26 11 1 0 0 0 0 27 29 1 0 0 0 0 28 13 1 0 0 0 0 29 22 2 0 0 0 0 30 27 2 0 0 0 0 31 19 1 0 0 0 0 32 23 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 14 20 1 0 0 0 0 23 30 1 0 0 0 0 M END > (P7119812494) P7119812494 > (P7119812494) 1 > (P7119812494) 6 > (P7119812494) 5 > (P7119812494) 3.400000000000000e+000 > (P7119812494) 4 > (P7119812494) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.6750 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7917 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -6.4875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 3 2 0 0 0 0 16 11 2 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 12 1 0 0 0 0 20 19 2 0 0 0 0 21 25 2 0 0 0 0 22 28 1 0 0 0 0 23 21 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 22 1 0 0 0 0 27 22 2 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 30 11 1 0 0 0 0 31 13 1 0 0 0 0 32 19 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 14 20 1 0 0 0 0 24 21 1 0 0 0 0 M END > (P7119812495) P7119812495 > (P7119812495) 1 > (P7119812495) 6 > (P7119812495) 5 > (P7119812495) 3.600000000000000e+000 > (P7119812495) 4 > (P7119812495) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 5.6750 -1.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -0.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -2.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -0.9542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 0.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 0.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -1.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 3 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 13 1 0 0 0 0 19 5 1 0 0 0 0 20 14 2 0 0 0 0 21 19 1 0 0 0 0 22 21 2 0 0 0 0 23 12 1 0 0 0 0 24 11 1 0 0 0 0 25 14 1 0 0 0 0 26 18 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 16 1 0 0 0 0 M END > (P7119812499) P7119812499 > (P7119812499) 1 > (P7119812499) 5 > (P7119812499) 3 > (P7119812499) 2.400000000000000e+000 > (P7119812499) 3 > (P7119812499) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 5.3625 -1.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -0.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7917 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1417 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -0.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8042 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 3 2 0 0 0 0 17 11 2 0 0 0 0 18 14 2 0 0 0 0 19 13 1 0 0 0 0 20 19 2 0 0 0 0 21 12 1 0 0 0 0 22 11 1 0 0 0 0 23 14 1 0 0 0 0 24 21 1 0 0 0 0 25 19 1 0 0 0 0 26 24 1 0 0 0 0 27 24 1 0 0 0 0 9 6 1 0 0 0 0 7 8 2 0 0 0 0 15 20 1 0 0 0 0 M END > (P7119812511) P7119812511 > (P7119812511) 1 > (P7119812511) 5 > (P7119812511) 4 > (P7119812511) 2.900000000000000e+000 > (P7119812511) 3 > (P7119812511) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 5.3625 -1.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -0.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7917 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0667 -1.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -0.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8042 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 5 1 0 0 0 0 14 4 2 0 0 0 0 15 10 1 0 0 0 0 16 3 2 0 0 0 0 17 19 2 0 0 0 0 18 11 2 0 0 0 0 19 14 1 0 0 0 0 20 15 2 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 11 1 0 0 0 0 24 15 1 0 0 0 0 25 21 1 0 0 0 0 26 19 1 0 0 0 0 27 25 1 0 0 0 0 28 25 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 17 1 0 0 0 0 M END > (P7119812529) P7119812529 > (P7119812529) 1 > (P7119812529) 5 > (P7119812529) 4 > (P7119812529) 3.400000000000000e+000 > (P7119812529) 3 > (P7119812529) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 5.6750 -2.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -1.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9875 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -2.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -5.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 5 2 0 0 0 0 16 11 1 0 0 0 0 17 3 2 0 0 0 0 18 21 2 0 0 0 0 19 14 2 0 0 0 0 20 12 2 0 0 0 0 21 15 1 0 0 0 0 22 16 2 0 0 0 0 23 19 1 0 0 0 0 24 13 1 0 0 0 0 25 12 1 0 0 0 0 26 14 1 0 0 0 0 27 16 1 0 0 0 0 28 19 1 0 0 0 0 29 21 1 0 0 0 0 30 26 2 0 0 0 0 31 30 1 0 0 0 0 9 4 1 0 0 0 0 7 8 2 0 0 0 0 13 18 1 0 0 0 0 28 31 2 0 0 0 0 M END > (P7119812530) P7119812530 > (P7119812530) 1 > (P7119812530) 5 > (P7119812530) 3 > (P7119812530) 4.000000000000000e+000 > (P7119812530) 4 > (P7119812530) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 5.4292 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0625 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8542 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1292 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -6.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8750 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 3 2 0 0 0 0 17 19 2 0 0 0 0 18 11 2 0 0 0 0 19 13 1 0 0 0 0 20 15 2 0 0 0 0 21 23 1 0 0 0 0 22 14 1 0 0 0 0 23 26 2 0 0 0 0 24 22 1 0 0 0 0 25 22 2 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 28 12 1 0 0 0 0 29 11 1 0 0 0 0 30 15 1 0 0 0 0 31 21 1 0 0 0 0 32 19 1 0 0 0 0 33 31 1 0 0 0 0 34 31 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 17 1 0 0 0 0 27 23 1 0 0 0 0 M END > (P7119812532) P7119812532 > (P7119812532) 1 > (P7119812532) 6 > (P7119812532) 5 > (P7119812532) 4.100000000000000e+000 > (P7119812532) 4 > (P7119812532) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.4292 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0625 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8542 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1292 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -6.4875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 3 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 5 1 0 0 0 0 21 25 2 0 0 0 0 22 29 1 0 0 0 0 23 21 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 22 1 0 0 0 0 27 22 2 0 0 0 0 28 12 1 0 0 0 0 29 30 1 0 0 0 0 30 20 1 0 0 0 0 31 11 1 0 0 0 0 32 14 1 0 0 0 0 33 18 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 16 1 0 0 0 0 24 21 1 0 0 0 0 M END > (P7119812533) P7119812533 > (P7119812533) 1 > (P7119812533) 6 > (P7119812533) 5 > (P7119812533) 4.100000000000000e+000 > (P7119812533) 4 > (P7119812533) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 5.8000 -3.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4292 -2.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2292 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.9250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9167 -1.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -3.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.9542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 3 2 0 0 0 0 16 11 2 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 18 1 0 0 0 0 20 12 1 0 0 0 0 21 19 2 0 0 0 0 22 20 2 0 0 0 0 23 20 1 0 0 0 0 24 11 1 0 0 0 0 25 13 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 14 22 1 0 0 0 0 M END > (P7119812534) P7119812534 > (P7119812534) 1 > (P7119812534) 5 > (P7119812534) 3 > (P7119812534) 2.200000000000000e+000 > (P7119812534) 3 > (P7119812534) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 5.8042 -3.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4375 -2.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2292 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.9792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5792 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -3.0125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -6.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8000 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 3 2 0 0 0 0 17 11 2 0 0 0 0 18 14 2 0 0 0 0 19 13 1 0 0 0 0 20 19 2 0 0 0 0 21 12 1 0 0 0 0 22 19 1 0 0 0 0 23 11 1 0 0 0 0 24 14 1 0 0 0 0 25 21 1 0 0 0 0 26 25 1 0 0 0 0 27 25 1 0 0 0 0 9 6 1 0 0 0 0 7 8 2 0 0 0 0 15 20 1 0 0 0 0 M END > (P7119812535) P7119812535 > (P7119812535) 1 > (P7119812535) 5 > (P7119812535) 4 > (P7119812535) 3.100000000000000e+000 > (P7119812535) 3 > (P7119812535) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.8042 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4375 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2292 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9167 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -1.9250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 3 2 0 0 0 0 16 11 2 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 12 1 0 0 0 0 20 19 2 0 0 0 0 21 28 1 0 0 0 0 22 19 1 0 0 0 0 23 26 1 0 0 0 0 24 21 2 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 30 11 1 0 0 0 0 31 13 1 0 0 0 0 32 23 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 14 20 1 0 0 0 0 27 23 2 0 0 0 0 M END > (P7119812540) P7119812540 > (P7119812540) 1 > (P7119812540) 6 > (P7119812540) 5 > (P7119812540) 3.600000000000000e+000 > (P7119812540) 4 > (P7119812540) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 5.8042 -1.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4375 -0.8750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2292 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -1.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -2.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9167 -0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -0.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -1.3792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 3 2 0 0 0 0 16 11 2 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 18 1 0 0 0 0 20 12 1 0 0 0 0 21 19 2 0 0 0 0 22 20 2 0 0 0 0 23 20 1 0 0 0 0 24 11 1 0 0 0 0 25 13 1 0 0 0 0 9 7 1 0 0 0 0 6 8 2 0 0 0 0 14 22 1 0 0 0 0 M END > (P7119812546) P7119812546 > (P7119812546) 1 > (P7119812546) 5 > (P7119812546) 3 > (P7119812546) 2.100000000000000e+000 > (P7119812546) 3 > (P7119812546) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.6750 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -5.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 3 2 0 0 0 0 17 11 2 0 0 0 0 18 14 2 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 20 2 0 0 0 0 22 25 1 0 0 0 0 23 19 2 0 0 0 0 24 19 1 0 0 0 0 25 24 2 0 0 0 0 26 23 1 0 0 0 0 27 11 1 0 0 0 0 28 22 1 0 0 0 0 29 14 1 0 0 0 0 30 20 1 0 0 0 0 31 28 1 0 0 0 0 32 31 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 15 21 1 0 0 0 0 26 22 2 0 0 0 0 M END > (P7119812549) P7119812549 > (P7119812549) 1 > (P7119812549) 6 > (P7119812549) 5 > (P7119812549) 3.200000000000000e+000 > (P7119812549) 4 > (P7119812549) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 5.6750 -2.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -1.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -4.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.3542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 4 2 0 0 0 0 14 5 1 0 0 0 0 15 11 1 0 0 0 0 16 3 2 0 0 0 0 17 19 2 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 15 2 0 0 0 0 21 10 1 0 0 0 0 22 17 1 0 0 0 0 23 14 1 0 0 0 0 24 12 1 0 0 0 0 25 15 1 0 0 0 0 26 23 2 0 0 0 0 27 23 1 0 0 0 0 28 27 2 0 0 0 0 29 26 1 0 0 0 0 30 28 1 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 10 17 1 0 0 0 0 29 30 2 0 0 0 0 M END > (P7119812562) P7119812562 > (P7119812562) 1 > (P7119812562) 5 > (P7119812562) 3 > (P7119812562) 3.700000000000000e+000 > (P7119812562) 4 > (P7119812562) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.8042 -2.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4375 -1.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2292 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -3.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5042 -2.4375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -3.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -4.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -3.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 4 2 0 0 0 0 14 11 1 0 0 0 0 15 3 2 0 0 0 0 16 18 2 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 5 1 0 0 0 0 21 10 1 0 0 0 0 22 16 1 0 0 0 0 23 24 1 0 0 0 0 24 20 1 0 0 0 0 25 23 1 0 0 0 0 26 12 1 0 0 0 0 27 14 1 0 0 0 0 28 25 2 0 0 0 0 29 25 1 0 0 0 0 30 29 2 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 10 16 1 0 0 0 0 31 32 2 0 0 0 0 M END > (P7119812563) P7119812563 > (P7119812563) 1 > (P7119812563) 6 > (P7119812563) 5 > (P7119812563) 3.800000000000000e+000 > (P7119812563) 4 > (P7119812563) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 5.6750 -2.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -1.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -2.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -1.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 3 2 0 0 0 0 17 19 2 0 0 0 0 18 11 2 0 0 0 0 19 13 1 0 0 0 0 20 15 2 0 0 0 0 21 14 1 0 0 0 0 22 25 1 0 0 0 0 23 21 2 0 0 0 0 24 21 1 0 0 0 0 25 24 2 0 0 0 0 26 23 1 0 0 0 0 27 12 1 0 0 0 0 28 11 1 0 0 0 0 29 22 1 0 0 0 0 30 15 1 0 0 0 0 31 19 1 0 0 0 0 32 29 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 17 1 0 0 0 0 26 22 2 0 0 0 0 M END > (P7119812963) P7119812963 > (P7119812963) 1 > (P7119812963) 6 > (P7119812963) 4 > (P7119812963) 3.300000000000000e+000 > (P7119812963) 4 > (P7119812963) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.1167 -1.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7542 -0.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5500 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -2.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8250 -1.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -0.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 3 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 5 1 0 0 0 0 21 23 1 0 0 0 0 22 21 1 0 0 0 0 23 25 1 0 0 0 0 24 12 1 0 0 0 0 25 20 1 0 0 0 0 26 11 1 0 0 0 0 27 14 1 0 0 0 0 28 18 1 0 0 0 0 29 22 1 0 0 0 0 30 21 2 0 0 0 0 31 22 2 0 0 0 0 32 33 2 0 0 0 0 33 30 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 16 1 0 0 0 0 31 32 1 0 0 0 0 M END > (P7119812966) P7119812966 > (P7119812966) 1 > (P7119812966) 6 > (P7119812966) 5 > (P7119812966) 3.900000000000000e+000 > (P7119812966) 4 > (P7119812966) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.6750 -1.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -1.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -1.8375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 3 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 5 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 23 21 2 0 0 0 0 24 12 1 0 0 0 0 25 26 1 0 0 0 0 26 20 1 0 0 0 0 27 11 1 0 0 0 0 28 31 1 0 0 0 0 29 14 1 0 0 0 0 30 18 1 0 0 0 0 31 22 2 0 0 0 0 32 28 2 0 0 0 0 33 23 1 0 0 0 0 9 5 1 0 0 0 0 7 8 2 0 0 0 0 12 16 1 0 0 0 0 23 32 1 0 0 0 0 M END > (P7119812967) P7119812967 > (P7119812967) 1 > (P7119812967) 6 > (P7119812967) 5 > (P7119812967) 3.900000000000000e+000 > (P7119812967) 4 > (P7119812967) 1.166000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 5.3625 -1.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -0.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7917 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.6250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1417 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.3292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3542 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 3 2 0 0 0 0 17 11 2 0 0 0 0 18 14 2 0 0 0 0 19 13 1 0 0 0 0 20 19 2 0 0 0 0 21 12 1 0 0 0 0 22 19 1 0 0 0 0 23 11 1 0 0 0 0 24 14 1 0 0 0 0 25 21 1 0 0 0 0 26 25 1 0 0 0 0 27 25 1 0 0 0 0 9 6 1 0 0 0 0 7 8 2 0 0 0 0 15 20 1 0 0 0 0 M END > (P7119812969) P7119812969 > (P7119812969) 1 > (P7119812969) 5 > (P7119812969) 4 > (P7119812969) 3.000000000000000e+000 > (P7119812969) 3 > (P7119812969) 1.074000000000000e+002 $$$$ -ISIS- 08092202382D 21 23 0 0 0 0 0 0 0 0999 V2000 2.2542 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -1.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 6 1 0 0 0 0 9 2 2 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 15 10 2 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 14 1 0 0 0 0 21 20 2 0 0 0 0 5 7 1 0 0 0 0 13 18 1 0 0 0 0 21 15 1 0 0 0 0 M END > (P7119830377) P7119830377 > (P7119830377) 1 > (P7119830377) 2 > (P7119830377) 4 > (P7119830377) 4.000000000000000e+000 > (P7119830377) 3 > (P7119830377) 6.659999999999998e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 4.4542 -4.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5375 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -3.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -3.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -4.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -4.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -5.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 6 2 0 0 0 0 12 9 2 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 12 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 21 15 2 0 0 0 0 22 20 1 0 0 0 0 23 17 2 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 2 5 1 0 0 0 0 18 24 2 0 0 0 0 19 25 2 0 0 0 0 M END > (P7119830749) P7119830749 > (P7119830749) 1 > (P7119830749) 4 > (P7119830749) 5 > (P7119830749) 3.900000000000000e+000 > (P7119830749) 3 > (P7119830749) 6.900000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.3500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.5208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0958 2.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 2.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 2.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -1.9417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.8583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.9458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4833 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 12 1 0 0 0 0 9 4 2 0 0 0 0 10 9 1 0 0 0 0 11 1 1 0 0 0 0 12 15 1 0 0 0 0 13 2 1 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 16 13 2 0 0 0 0 17 12 2 0 0 0 0 18 16 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 19 2 0 0 0 0 22 15 1 0 0 0 0 23 21 1 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 5 6 2 0 0 0 0 23 18 2 0 0 0 0 10 14 2 0 0 0 0 M END > (P7119830856) P7119830856 > (P7119830856) 1 > (P7119830856) 7 > (P7119830856) 6 > (P7119830856) 2.800000000000000e+000 > (P7119830856) 3 > (P7119830856) 1.520000000000000e+002 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 -0.3583 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 1.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1000 2.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 2.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.6625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 0.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4958 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 0.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 10 1 0 0 0 0 7 6 2 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 12 2 1 0 0 0 0 13 7 1 0 0 0 0 14 9 2 0 0 0 0 15 8 1 0 0 0 0 16 12 2 0 0 0 0 17 11 2 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 20 19 2 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 18 1 0 0 0 0 4 5 2 0 0 0 0 23 18 2 0 0 0 0 14 13 1 0 0 0 0 M END > (P7119830857) P7119830857 > (P7119830857) 1 > (P7119830857) 6 > (P7119830857) 5 > (P7119830857) 2.500000000000000e+000 > (P7119830857) 3 > (P7119830857) 1.240000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 1.6375 3.1083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 3.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 3.3208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 4.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 3.8208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 11 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 22 2 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 19 2 0 0 0 0 22 20 1 0 0 0 0 23 9 1 0 0 0 0 24 11 1 0 0 0 0 25 17 1 0 0 0 0 26 18 1 0 0 0 0 3 5 1 0 0 0 0 14 17 2 0 0 0 0 18 21 1 0 0 0 0 M END > (P7119831762) P7119831762 > (P7119831762) 1 > (P7119831762) 5 > (P7119831762) 5 > (P7119831762) 4.400000000000000e+000 > (P7119831762) 3 > (P7119831762) 9.800000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 3.5042 -4.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2792 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -3.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -3.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -4.5917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -4.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -4.2375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3167 -5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -3.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 12 1 0 0 0 0 9 8 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 6 1 0 0 0 0 17 15 1 0 0 0 0 18 10 1 0 0 0 0 19 16 2 0 0 0 0 20 11 2 0 0 0 0 21 19 1 0 0 0 0 22 12 1 0 0 0 0 23 14 1 0 0 0 0 24 15 2 0 0 0 0 25 17 1 0 0 0 0 26 20 1 0 0 0 0 27 26 2 0 0 0 0 5 3 1 0 0 0 0 21 14 2 0 0 0 0 24 27 1 0 0 0 0 M END > (P7119831805) P7119831805 > (P7119831805) 1 > (P7119831805) 6 > (P7119831805) 6 > (P7119831805) 3.900000000000000e+000 > (P7119831805) 3 > (P7119831805) 1.072000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 3.7667 -3.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4292 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -3.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -3.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -2.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -2.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0625 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 6 2 0 0 0 0 13 8 2 0 0 0 0 14 10 2 0 0 0 0 15 6 1 0 0 0 0 16 12 1 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 22 16 1 0 0 0 0 23 15 2 0 0 0 0 24 17 2 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 3 5 1 0 0 0 0 19 26 2 0 0 0 0 25 21 2 0 0 0 0 M END > (P7119832275) P7119832275 > (P7119832275) 1 > (P7119832275) 6 > (P7119832275) 6 > (P7119832275) 3.400000000000000e+000 > (P7119832275) 3 > (P7119832275) 1.072000000000000e+002 $$$$ -ISIS- 08092202382D 27 28 0 0 0 0 0 0 0 0999 V2000 4.5042 -5.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6542 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.6667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0417 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -1.3542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0417 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -6.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -4.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 11 1 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 10 2 0 0 0 0 14 4 2 0 0 0 0 15 4 2 0 0 0 0 16 7 2 0 0 0 0 17 7 2 0 0 0 0 18 9 2 0 0 0 0 19 4 1 0 0 0 0 20 3 1 0 0 0 0 21 7 1 0 0 0 0 22 9 1 0 0 0 0 23 13 1 0 0 0 0 24 22 1 0 0 0 0 25 20 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 5 2 1 0 0 0 0 12 8 2 0 0 0 0 M END > (P7119850767) P7119850767 > (P7119850767) 1 > (P7119850767) 6 > (P7119850767) 8 > (P7119850767) 2.800000000000000e+000 > (P7119850767) 2 > (P7119850767) 1.283000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 6.0042 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5792 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -5.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -0.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 3 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 4 1 0 0 0 0 14 11 1 0 0 0 0 15 5 2 0 0 0 0 16 6 2 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 13 1 0 0 0 0 21 18 1 0 0 0 0 22 15 1 0 0 0 0 23 22 2 0 0 0 0 24 17 2 0 0 0 0 25 21 1 0 0 0 0 26 24 1 0 0 0 0 6 4 1 0 0 0 0 19 26 2 0 0 0 0 16 23 1 0 0 0 0 M END > (P7119891568) P7119891568 > (P7119891568) 1 > (P7119891568) 3 > (P7119891568) 5 > (P7119891568) 5.000000000000000e+000 > (P7119891568) 3 > (P7119891568) 4.940000000000001e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 2.8542 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1292 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -3.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 9 2 0 0 0 0 13 3 1 0 0 0 0 14 11 2 0 0 0 0 15 5 2 0 0 0 0 16 8 2 0 0 0 0 17 6 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 9 1 0 0 0 0 21 19 2 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 24 25 2 0 0 0 0 25 17 1 0 0 0 0 26 23 1 0 0 0 0 5 4 1 0 0 0 0 15 24 1 0 0 0 0 21 14 1 0 0 0 0 M END > (P7119891636) P7119891636 > (P7119891636) 1 > (P7119891636) 4 > (P7119891636) 5 > (P7119891636) 4.000000000000000e+000 > (P7119891636) 3 > (P7119891636) 5.859999999999999e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 8.3542 -9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -9.3667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9417 -10.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -10.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -8.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -10.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -10.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -10.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -8.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -11.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -7.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -11.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -9.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -10.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -8.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -10.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 8 2 0 0 0 0 14 6 2 0 0 0 0 15 12 1 0 0 0 0 16 7 1 0 0 0 0 17 9 1 0 0 0 0 18 10 2 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 12 1 0 0 0 0 23 17 2 0 0 0 0 24 18 1 0 0 0 0 25 19 2 0 0 0 0 26 21 1 0 0 0 0 27 20 2 0 0 0 0 28 23 1 0 0 0 0 29 26 2 0 0 0 0 30 25 1 0 0 0 0 4 7 2 0 0 0 0 30 24 2 0 0 0 0 29 27 1 0 0 0 0 22 28 2 0 0 0 0 M END > (P7119892032) P7119892032 > (P7119892032) 1 > (P7119892032) 4 > (P7119892032) 4 > (P7119892032) 4.800000000000000e+000 > (P7119892032) 4 > (P7119892032) 6.180000000000000e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 8.9375 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -3.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -4.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -3.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1917 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4250 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 9 2 0 0 0 0 13 5 2 0 0 0 0 14 8 2 0 0 0 0 15 17 2 0 0 0 0 16 10 2 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 10 1 0 0 0 0 20 12 1 0 0 0 0 21 11 2 0 0 0 0 22 11 1 0 0 0 0 23 15 1 0 0 0 0 24 19 1 0 0 0 0 25 24 1 0 0 0 0 26 21 1 0 0 0 0 27 22 2 0 0 0 0 28 27 1 0 0 0 0 6 4 2 0 0 0 0 26 28 2 0 0 0 0 12 15 1 0 0 0 0 M END > (P7119892082) P7119892082 > (P7119892082) 1 > (P7119892082) 4 > (P7119892082) 5 > (P7119892082) 5.000000000000000e+000 > (P7119892082) 3 > (P7119892082) 6.180000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 5.9292 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -3.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7042 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -2.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -4.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -4.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2667 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 14 2 0 0 0 0 17 11 2 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 11 1 0 0 0 0 21 5 1 0 0 0 0 22 6 1 0 0 0 0 23 10 1 0 0 0 0 24 12 1 0 0 0 0 25 20 1 0 0 0 0 26 25 1 0 0 0 0 27 25 1 0 0 0 0 28 23 2 0 0 0 0 29 24 2 0 0 0 0 3 6 1 0 0 0 0 12 10 2 0 0 0 0 28 29 1 0 0 0 0 18 19 2 0 0 0 0 M END > (P7119892164) P7119892164 > (P7119892164) 2 > (P7119892164) 2 > (P7119892164) 6 > (P7119892164) 4.600000000000000e+000 > (P7119892164) 4 > (P7119892164) 7.580000000000000e+001 $$$$ -ISIS- 08092202382D 30 34 0 0 0 0 0 0 0 0999 V2000 4.8167 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -3.6542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2542 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -3.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -4.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -6.7667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9167 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 3 1 0 0 0 0 15 11 1 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 20 22 1 0 0 0 0 21 5 1 0 0 0 0 22 14 1 0 0 0 0 23 6 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 27 1 0 0 0 0 29 24 2 0 0 0 0 30 25 2 0 0 0 0 5 6 2 0 0 0 0 13 12 2 0 0 0 0 19 18 2 0 0 0 0 26 28 1 0 0 0 0 29 30 1 0 0 0 0 M END > (P7119892165) P7119892165 > (P7119892165) 2 > (P7119892165) 3 > (P7119892165) 5 > (P7119892165) 4.400000000000000e+000 > (P7119892165) 5 > (P7119892165) 1.002000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 5.7792 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.5417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5542 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -3.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -4.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2042 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 13 2 0 0 0 0 15 17 1 0 0 0 0 16 5 1 0 0 0 0 17 12 1 0 0 0 0 18 6 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 13 1 0 0 0 0 22 15 1 0 0 0 0 23 17 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 26 19 2 0 0 0 0 27 20 2 0 0 0 0 3 6 1 0 0 0 0 11 10 2 0 0 0 0 26 27 1 0 0 0 0 22 25 1 0 0 0 0 M END > (P7119892167) P7119892167 > (P7119892167) 2 > (P7119892167) 3 > (P7119892167) 5 > (P7119892167) 3.500000000000000e+000 > (P7119892167) 4 > (P7119892167) 7.190000000000001e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 5.7917 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -3.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -2.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -4.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -2.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2125 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2292 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 11 2 0 0 0 0 15 18 1 0 0 0 0 16 11 1 0 0 0 0 17 5 1 0 0 0 0 18 13 1 0 0 0 0 19 6 1 0 0 0 0 20 10 1 0 0 0 0 21 12 1 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 24 18 1 0 0 0 0 25 23 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 20 2 0 0 0 0 29 21 2 0 0 0 0 3 6 1 0 0 0 0 12 10 2 0 0 0 0 28 29 1 0 0 0 0 22 27 1 0 0 0 0 M END > (P7119892168) P7119892168 > (P7119892168) 2 > (P7119892168) 3 > (P7119892168) 6 > (P7119892168) 4.200000000000000e+000 > (P7119892168) 4 > (P7119892168) 7.190000000000001e+001 $$$$ -ISIS- 08092202382D 22 24 0 0 0 0 0 0 0 0999 V2000 -0.6333 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -1.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -2.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -2.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -3.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 11 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 14 2 0 0 0 0 22 19 2 0 0 0 0 6 7 1 0 0 0 0 22 21 1 0 0 0 0 16 20 2 0 0 0 0 M END > (P7119980835) P7119980835 > (P7119980835) 1 > (P7119980835) 4 > (P7119980835) 4 > (P7119980835) 2.900000000000000e+000 > (P7119980835) 3 > (P7119980835) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.2917 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -2.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -0.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0333 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.4500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 10 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 7 2 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 15 2 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 6 5 1 0 0 0 0 24 21 2 0 0 0 0 23 19 2 0 0 0 0 M END > (P7119981603) P7119981603 > (P7119981603) 1 > (P7119981603) 4 > (P7119981603) 5 > (P7119981603) 3.900000000000000e+000 > (P7119981603) 3 > (P7119981603) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.1083 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -0.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4417 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 14 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 7 2 0 0 0 0 14 12 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 18 10 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 15 1 0 0 0 0 23 20 2 0 0 0 0 24 21 1 0 0 0 0 25 24 2 0 0 0 0 6 5 1 0 0 0 0 25 23 1 0 0 0 0 15 10 2 0 0 0 0 M END > (P7119981612) P7119981612 > (P7119981612) 1 > (P7119981612) 4 > (P7119981612) 5 > (P7119981612) 4.200000000000000e+000 > (P7119981612) 3 > (P7119981612) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5333 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -2.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 1.0208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 17 2 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 19 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 6 5 1 0 0 0 0 14 16 1 0 0 0 0 22 15 2 0 0 0 0 M END > (P7119981730) P7119981730 > (P7119981730) 1 > (P7119981730) 4 > (P7119981730) 6 > (P7119981730) 4.400000000000000e+000 > (P7119981730) 3 > (P7119981730) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 34 38 0 0 0 0 0 0 0 0999 V2000 1.4792 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 13 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 12 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 3 1 0 0 0 0 15 6 2 0 0 0 0 16 8 1 0 0 0 0 17 7 2 0 0 0 0 18 8 2 0 0 0 0 19 15 1 0 0 0 0 20 12 2 0 0 0 0 21 13 2 0 0 0 0 22 17 1 0 0 0 0 23 16 1 0 0 0 0 24 11 1 0 0 0 0 25 14 1 0 0 0 0 26 15 1 0 0 0 0 27 22 1 0 0 0 0 28 23 2 0 0 0 0 29 23 1 0 0 0 0 30 24 2 0 0 0 0 31 25 2 0 0 0 0 32 29 2 0 0 0 0 33 28 1 0 0 0 0 34 32 1 0 0 0 0 14 11 2 0 0 0 0 30 31 1 0 0 0 0 34 33 2 0 0 0 0 7 6 1 0 0 0 0 22 19 2 0 0 0 0 M END > (P7119982062) P7119982062 > (P7119982062) 2 > (P7119982062) 4 > (P7119982062) 4 > (P7119982062) 4.800000000000000e+000 > (P7119982062) 5 > (P7119982062) 9.760000000000002e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 0.4667 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.1833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 13 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 12 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 3 2 0 0 0 0 12 11 1 0 0 0 0 13 9 1 0 0 0 0 14 2 1 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 15 1 0 0 0 0 18 12 2 0 0 0 0 19 13 2 0 0 0 0 20 14 2 0 0 0 0 21 16 1 0 0 0 0 22 14 1 0 0 0 0 23 6 1 0 0 0 0 24 10 1 0 0 0 0 25 28 1 0 0 0 0 26 15 1 0 0 0 0 27 29 1 0 0 0 0 28 22 1 0 0 0 0 29 25 1 0 0 0 0 30 21 1 0 0 0 0 31 27 1 0 0 0 0 32 23 1 0 0 0 0 33 24 1 0 0 0 0 34 31 1 0 0 0 0 6 10 2 0 0 0 0 33 32 1 0 0 0 0 7 8 1 0 0 0 0 17 21 2 0 0 0 0 M END > (P7119982066) P7119982066 > (P7119982066) 2 > (P7119982066) 5 > (P7119982066) 8 > (P7119982066) 4.000000000000000e+000 > (P7119982066) 4 > (P7119982066) 1.220000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 2.5917 -0.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8625 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -0.6125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9250 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3375 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7500 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 4.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 4 2 0 0 0 0 18 6 2 0 0 0 0 19 10 2 0 0 0 0 20 5 1 0 0 0 0 21 7 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 14 1 0 0 0 0 25 24 1 0 0 0 0 26 8 1 0 0 0 0 27 11 1 0 0 0 0 28 15 1 0 0 0 0 29 16 1 0 0 0 0 30 25 1 0 0 0 0 31 25 1 0 0 0 0 32 26 2 0 0 0 0 33 32 1 0 0 0 0 34 29 2 0 0 0 0 35 28 2 0 0 0 0 7 11 1 0 0 0 0 6 5 1 0 0 0 0 27 33 2 0 0 0 0 16 15 2 0 0 0 0 35 34 1 0 0 0 0 M END > (P7119982070) P7119982070 > (P7119982070) 1 > (P7119982070) 5 > (P7119982070) 7 > (P7119982070) 2.800000000000000e+000 > (P7119982070) 5 > (P7119982070) 9.430000000000000e+001 $$$$ -ISIS- 08092202382D 29 30 0 0 0 0 0 0 0 0999 V2000 4.8500 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -6.7375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -6.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -6.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -6.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -5.3375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -8.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -4.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -6.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 4 1 0 0 0 0 13 6 2 0 0 0 0 14 16 2 0 0 0 0 15 8 2 0 0 0 0 16 13 1 0 0 0 0 17 10 2 0 0 0 0 18 12 2 0 0 0 0 19 11 1 0 0 0 0 20 26 1 0 0 0 0 21 20 2 0 0 0 0 22 3 1 0 0 0 0 23 13 1 0 0 0 0 24 10 1 0 0 0 0 25 12 1 0 0 0 0 26 19 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 3 4 2 0 0 0 0 14 11 1 0 0 0 0 M END > (P7119982470) P7119982470 > (P7119982470) 1 > (P7119982470) 8 > (P7119982470) 10 > (P7119982470) 4.200000000000000e+000 > (P7119982470) 2 > (P7119982470) 1.610000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 4.8542 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -8.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -6.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -8.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -8.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -6.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5042 -7.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -4.7292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 10 8 2 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 18 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 8 1 0 0 0 0 22 21 2 0 0 0 0 23 10 1 0 0 0 0 24 22 1 0 0 0 0 25 12 1 0 0 0 0 26 14 1 0 0 0 0 5 6 1 0 0 0 0 19 17 2 0 0 0 0 14 24 2 0 0 0 0 M END > (P7119982578) P7119982578 > (P7119982578) 1 > (P7119982578) 4 > (P7119982578) 5 > (P7119982578) 4.900000000000000e+000 > (P7119982578) 3 > (P7119982578) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 -0.0208 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -3.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -3.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 14 2 0 0 0 0 16 9 1 0 0 0 0 17 9 2 0 0 0 0 18 15 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 21 16 2 0 0 0 0 22 17 1 0 0 0 0 23 22 2 0 0 0 0 5 6 1 0 0 0 0 23 21 1 0 0 0 0 12 18 2 0 0 0 0 M END > (P7119982847) P7119982847 > (P7119982847) 1 > (P7119982847) 4 > (P7119982847) 5 > (P7119982847) 3.200000000000000e+000 > (P7119982847) 3 > (P7119982847) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.9958 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -2.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -2.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6417 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 9 2 0 0 0 0 18 9 1 0 0 0 0 19 14 1 0 0 0 0 20 21 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 11 1 0 0 0 0 25 14 1 0 0 0 0 26 13 1 0 0 0 0 27 23 1 0 0 0 0 5 6 1 0 0 0 0 22 20 2 0 0 0 0 13 19 2 0 0 0 0 M END > (P7119982849) P7119982849 > (P7119982849) 1 > (P7119982849) 5 > (P7119982849) 6 > (P7119982849) 4.200000000000000e+000 > (P7119982849) 3 > (P7119982849) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.0083 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -4.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -3.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -5.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -5.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -2.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 -4.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -3.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 13 1 0 0 0 0 17 19 1 0 0 0 0 18 14 1 0 0 0 0 19 15 2 0 0 0 0 20 17 1 0 0 0 0 21 10 1 0 0 0 0 22 11 1 0 0 0 0 23 13 1 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 5 6 1 0 0 0 0 18 17 2 0 0 0 0 23 27 2 0 0 0 0 M END > (P7119982874) P7119982874 > (P7119982874) 1 > (P7119982874) 5 > (P7119982874) 7 > (P7119982874) 3.900000000000000e+000 > (P7119982874) 3 > (P7119982874) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 34 37 0 0 0 0 0 0 0 0999 V2000 0.2167 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -0.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 1.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.7542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 4 2 0 0 0 0 13 5 1 0 0 0 0 14 17 2 0 0 0 0 15 5 2 0 0 0 0 16 7 2 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 31 1 0 0 0 0 21 20 2 0 0 0 0 22 12 1 0 0 0 0 23 27 1 0 0 0 0 24 8 1 0 0 0 0 25 19 2 0 0 0 0 26 19 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 29 10 1 0 0 0 0 30 23 1 0 0 0 0 31 18 1 0 0 0 0 32 30 1 0 0 0 0 33 24 2 0 0 0 0 34 29 2 0 0 0 0 10 8 2 0 0 0 0 33 34 1 0 0 0 0 28 23 2 0 0 0 0 14 11 1 0 0 0 0 M END > (P7119982918) P7119982918 > (P7119982918) 2 > (P7119982918) 6 > (P7119982918) 8 > (P7119982918) 5.000000000000000e+000 > (P7119982918) 4 > (P7119982918) 1.317000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.1000 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -0.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.3375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4917 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 21 2 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 15 1 0 0 0 0 24 9 1 0 0 0 0 25 18 1 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 5 6 1 0 0 0 0 17 15 2 0 0 0 0 18 22 1 0 0 0 0 M END > (P7119982923) P7119982923 > (P7119982923) 1 > (P7119982923) 5 > (P7119982923) 7 > (P7119982923) 4.200000000000000e+000 > (P7119982923) 3 > (P7119982923) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 0.8792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -0.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.9250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -1.9542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0375 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 7 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 13 2 0 0 0 0 10 1 2 0 0 0 0 11 4 1 0 0 0 0 12 2 2 0 0 0 0 13 10 1 0 0 0 0 14 8 2 0 0 0 0 15 10 1 0 0 0 0 16 8 1 0 0 0 0 17 5 1 0 0 0 0 18 7 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 9 4 1 0 0 0 0 17 23 2 0 0 0 0 M END > (P7119982957) P7119982957 > (P7119982957) 1 > (P7119982957) 6 > (P7119982957) 6 > (P7119982957) 3.600000000000000e+000 > (P7119982957) 2 > (P7119982957) 1.065000000000000e+002 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 -0.8833 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.5833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -2.2917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.6083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 12 6 1 0 0 0 0 13 2 2 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 8 2 0 0 0 0 17 11 2 0 0 0 0 18 9 1 0 0 0 0 19 8 1 0 0 0 0 20 17 1 0 0 0 0 21 4 1 0 0 0 0 22 7 1 0 0 0 0 23 11 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 26 27 1 0 0 0 0 27 22 2 0 0 0 0 28 23 2 0 0 0 0 29 28 1 0 0 0 0 10 6 1 0 0 0 0 21 26 2 0 0 0 0 24 29 2 0 0 0 0 M END > (P7119983008) P7119983008 > (P7119983008) 1 > (P7119983008) 6 > (P7119983008) 7 > (P7119983008) 4.600000000000000e+000 > (P7119983008) 3 > (P7119983008) 1.065000000000000e+002 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 0.9167 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.2333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -2.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 12 2 0 0 0 0 11 2 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 6 1 0 0 0 0 15 21 1 0 0 0 0 16 15 2 0 0 0 0 17 9 1 0 0 0 0 18 8 1 0 0 0 0 19 4 1 0 0 0 0 20 7 1 0 0 0 0 21 14 1 0 0 0 0 22 18 1 0 0 0 0 23 24 1 0 0 0 0 24 20 2 0 0 0 0 10 6 1 0 0 0 0 19 23 2 0 0 0 0 M END > (P7119983017) P7119983017 > (P7119983017) 1 > (P7119983017) 6 > (P7119983017) 7 > (P7119983017) 3.500000000000000e+000 > (P7119983017) 2 > (P7119983017) 1.065000000000000e+002 $$$$ -ISIS- 08092202382D 30 31 0 0 0 0 0 0 0 0999 V2000 0.6625 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 0.4458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9042 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 18 2 0 0 0 0 13 2 1 0 0 0 0 14 7 2 0 0 0 0 15 5 1 0 0 0 0 16 9 2 0 0 0 0 17 9 2 0 0 0 0 18 14 1 0 0 0 0 19 10 2 0 0 0 0 20 13 2 0 0 0 0 21 15 2 0 0 0 0 22 3 1 0 0 0 0 23 14 1 0 0 0 0 24 9 1 0 0 0 0 25 13 1 0 0 0 0 26 15 1 0 0 0 0 27 25 1 0 0 0 0 28 24 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 3 5 2 0 0 0 0 12 6 1 0 0 0 0 M END > (P7119983021) P7119983021 > (P7119983021) 1 > (P7119983021) 8 > (P7119983021) 9 > (P7119983021) 3.400000000000000e+000 > (P7119983021) 2 > (P7119983021) 1.690000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 0.9667 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -2.6792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -2.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -2.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -1.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -4.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -1.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7792 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 2 1 0 0 0 0 12 16 2 0 0 0 0 13 3 2 0 0 0 0 14 10 1 0 0 0 0 15 7 2 0 0 0 0 16 13 1 0 0 0 0 17 11 2 0 0 0 0 18 13 1 0 0 0 0 19 11 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 14 1 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 8 5 2 0 0 0 0 26 27 1 0 0 0 0 12 10 1 0 0 0 0 M END > (P7119983029) P7119983029 > (P7119983029) 1 > (P7119983029) 6 > (P7119983029) 6 > (P7119983029) 4.700000000000000e+000 > (P7119983029) 3 > (P7119983029) 1.347000000000000e+002 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 -0.5458 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -1.4292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.0167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -2.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 3 2 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 25 1 0 0 0 0 19 18 2 0 0 0 0 20 12 1 0 0 0 0 21 10 1 0 0 0 0 22 5 1 0 0 0 0 23 8 1 0 0 0 0 24 23 1 0 0 0 0 25 17 1 0 0 0 0 26 21 1 0 0 0 0 8 5 2 0 0 0 0 22 24 1 0 0 0 0 13 11 1 0 0 0 0 M END > (P7119983035) P7119983035 > (P7119983035) 1 > (P7119983035) 6 > (P7119983035) 7 > (P7119983035) 4.200000000000000e+000 > (P7119983035) 3 > (P7119983035) 1.347000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -0.7625 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -2.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 9 2 0 0 0 0 12 7 2 0 0 0 0 13 16 2 0 0 0 0 14 8 2 0 0 0 0 15 10 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 17 1 0 0 0 0 21 10 1 0 0 0 0 22 21 2 0 0 0 0 23 22 1 0 0 0 0 24 20 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 24 1 0 0 0 0 28 27 1 0 0 0 0 5 6 1 0 0 0 0 11 13 1 0 0 0 0 17 23 2 0 0 0 0 M END > (P7119983154) P7119983154 > (P7119983154) 1 > (P7119983154) 6 > (P7119983154) 8 > (P7119983154) 3.700000000000000e+000 > (P7119983154) 3 > (P7119983154) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 0.5667 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 4 2 0 0 0 0 13 8 2 0 0 0 0 14 16 2 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 18 8 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 13 1 0 0 0 0 22 19 1 0 0 0 0 23 17 1 0 0 0 0 24 20 1 0 0 0 0 25 18 2 0 0 0 0 26 22 1 0 0 0 0 27 25 1 0 0 0 0 6 7 1 0 0 0 0 11 14 1 0 0 0 0 21 27 2 0 0 0 0 M END > (P7119983530) P7119983530 > (P7119983530) 1 > (P7119983530) 6 > (P7119983530) 7 > (P7119983530) 3.200000000000000e+000 > (P7119983530) 3 > (P7119983530) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 -1.0583 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -2.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -2.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3208 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.9042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 13 1 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 18 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 12 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 22 12 1 0 0 0 0 23 13 1 0 0 0 0 24 17 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 22 2 0 0 0 0 28 27 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 24 28 2 0 0 0 0 M END > (P7119983535) P7119983535 > (P7119983535) 1 > (P7119983535) 6 > (P7119983535) 7 > (P7119983535) 3.400000000000000e+000 > (P7119983535) 3 > (P7119983535) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 2.5917 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 0.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.1583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -1.7167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 1.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1250 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 7 11 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 6 2 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 22 15 1 0 0 0 0 7 5 1 0 0 0 0 18 16 2 0 0 0 0 M END > (P7119983716) P7119983716 > (P7119983716) 1 > (P7119983716) 4 > (P7119983716) 4 > (P7119983716) 4.700000000000000e+000 > (P7119983716) 2 > (P7119983716) 8.019999999999999e+001 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 -0.9875 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -2.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 -0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 2.0583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7917 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 17 1 0 0 0 0 14 7 2 0 0 0 0 15 8 1 0 0 0 0 16 18 2 0 0 0 0 17 15 2 0 0 0 0 18 23 1 0 0 0 0 19 22 2 0 0 0 0 20 12 1 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 20 2 0 0 0 0 24 10 1 0 0 0 0 25 13 1 0 0 0 0 26 11 1 0 0 0 0 27 21 1 0 0 0 0 28 21 1 0 0 0 0 29 24 1 0 0 0 0 30 25 1 0 0 0 0 5 6 1 0 0 0 0 10 13 2 0 0 0 0 19 16 1 0 0 0 0 M END > (P7119983769) P7119983769 > (P7119983769) 1 > (P7119983769) 6 > (P7119983769) 8 > (P7119983769) 4.400000000000000e+000 > (P7119983769) 3 > (P7119983769) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.3458 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2667 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 2.1250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 22 2 0 0 0 0 16 17 2 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 15 1 0 0 0 0 20 14 1 0 0 0 0 21 14 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 16 1 0 0 0 0 25 9 1 0 0 0 0 26 24 1 0 0 0 0 27 26 1 0 0 0 0 5 6 1 0 0 0 0 18 16 1 0 0 0 0 23 15 1 0 0 0 0 M END > (P7119983995) P7119983995 > (P7119983995) 1 > (P7119983995) 5 > (P7119983995) 7 > (P7119983995) 3.800000000000000e+000 > (P7119983995) 3 > (P7119983995) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 3.6417 0.0083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -0.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -2.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 9 2 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 12 1 1 0 0 0 0 13 1 2 0 0 0 0 14 1 2 0 0 0 0 15 8 2 0 0 0 0 16 5 2 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 10 1 0 0 0 0 21 26 1 0 0 0 0 22 21 1 0 0 0 0 23 6 1 0 0 0 0 24 18 2 0 0 0 0 25 18 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 9 1 0 0 0 0 29 20 1 0 0 0 0 30 31 1 0 0 0 0 31 28 2 0 0 0 0 27 21 2 0 0 0 0 3 11 2 0 0 0 0 23 30 2 0 0 0 0 M END > (P7119984363) P7119984363 > (P7119984363) 1 > (P7119984363) 7 > (P7119984363) 7 > (P7119984363) 3.600000000000000e+000 > (P7119984363) 3 > (P7119984363) 1.237000000000000e+002 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.8917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 12 2 0 0 0 0 17 8 1 0 0 0 0 18 11 1 0 0 0 0 19 14 1 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 24 23 1 0 0 0 0 25 17 2 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 6 7 1 0 0 0 0 16 14 1 0 0 0 0 20 28 2 0 0 0 0 M END > (P7119984431) P7119984431 > (P7119984431) 1 > (P7119984431) 5 > (P7119984431) 9 > (P7119984431) 4.500000000000000e+000 > (P7119984431) 3 > (P7119984431) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 1.1875 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.6958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -2.1875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 11 2 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 2 2 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 13 2 0 0 0 0 16 6 1 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 19 13 1 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 15 1 0 0 0 0 23 17 1 0 0 0 0 24 18 2 0 0 0 0 25 19 2 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 4 7 1 0 0 0 0 26 20 2 0 0 0 0 27 22 2 0 0 0 0 M END > (P7119984534) P7119984534 > (P7119984534) 1 > (P7119984534) 5 > (P7119984534) 6 > (P7119984534) 5.000000000000000e+000 > (P7119984534) 3 > (P7119984534) 8.940000000000001e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 1.2750 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -3.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -4.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7167 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -3.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5667 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 10 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 14 1 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 8 1 0 0 0 0 15 11 1 0 0 0 0 16 7 1 0 0 0 0 17 20 2 0 0 0 0 18 8 2 0 0 0 0 19 9 2 0 0 0 0 20 19 1 0 0 0 0 21 11 1 0 0 0 0 22 16 2 0 0 0 0 23 22 1 0 0 0 0 24 13 1 0 0 0 0 25 17 1 0 0 0 0 26 14 1 0 0 0 0 27 21 1 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 5 6 1 0 0 0 0 17 13 1 0 0 0 0 15 23 2 0 0 0 0 M END > (P7119985197) P7119985197 > (P7119985197) 1 > (P7119985197) 6 > (P7119985197) 8 > (P7119985197) 4.900000000000000e+000 > (P7119985197) 3 > (P7119985197) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 7.5167 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -4.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -5.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -4.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4042 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -5.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -7.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -8.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 6 1 0 0 0 0 16 8 2 0 0 0 0 17 11 2 0 0 0 0 18 12 2 0 0 0 0 19 11 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 7 1 0 0 0 0 23 21 2 0 0 0 0 24 20 1 0 0 0 0 25 23 1 0 0 0 0 26 10 1 0 0 0 0 27 19 1 0 0 0 0 28 25 1 0 0 0 0 29 22 1 0 0 0 0 30 26 1 0 0 0 0 10 7 2 0 0 0 0 29 30 1 0 0 0 0 6 14 1 0 0 0 0 25 24 2 0 0 0 0 M END > (P7119985536) P7119985536 > (P7119985536) 2 > (P7119985536) 5 > (P7119985536) 4 > (P7119985536) 3.500000000000000e+000 > (P7119985536) 4 > (P7119985536) 1.191000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.5833 1.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.9458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1583 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 0.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 10 2 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 9 2 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 4 2 0 0 0 0 14 11 2 0 0 0 0 15 7 2 0 0 0 0 16 12 2 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 5 1 0 0 0 0 23 10 1 0 0 0 0 24 21 1 0 0 0 0 25 18 1 0 0 0 0 26 27 1 0 0 0 0 27 23 2 0 0 0 0 7 8 1 0 0 0 0 21 20 2 0 0 0 0 22 26 2 0 0 0 0 M END > (P7119985543) P7119985543 > (P7119985543) 1 > (P7119985543) 6 > (P7119985543) 5 > (P7119985543) 2.900000000000000e+000 > (P7119985543) 3 > (P7119985543) 8.810000000000002e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 7.6667 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -4.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.9875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8792 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -5.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -7.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -6.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -9.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -9.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 7 2 0 0 0 0 18 8 2 0 0 0 0 19 12 2 0 0 0 0 20 16 2 0 0 0 0 21 16 1 0 0 0 0 22 15 1 0 0 0 0 23 21 2 0 0 0 0 24 20 1 0 0 0 0 25 23 1 0 0 0 0 26 10 1 0 0 0 0 27 11 1 0 0 0 0 28 22 2 0 0 0 0 29 22 1 0 0 0 0 30 25 1 0 0 0 0 31 26 2 0 0 0 0 32 27 2 0 0 0 0 33 29 2 0 0 0 0 34 28 1 0 0 0 0 35 33 1 0 0 0 0 10 11 2 0 0 0 0 32 31 1 0 0 0 0 34 35 2 0 0 0 0 6 14 1 0 0 0 0 24 25 2 0 0 0 0 M END > (P7119985609) P7119985609 > (P7119985609) 2 > (P7119985609) 5 > (P7119985609) 5 > (P7119985609) 4.500000000000000e+000 > (P7119985609) 5 > (P7119985609) 1.040000000000000e+002 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 1.9750 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.3250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 -1.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -1.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -4.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 12 1 0 0 0 0 12 7 1 0 0 0 0 13 4 2 0 0 0 0 14 4 2 0 0 0 0 15 7 1 0 0 0 0 16 11 1 0 0 0 0 17 6 2 0 0 0 0 18 11 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 10 1 0 0 0 0 22 4 1 0 0 0 0 23 15 1 0 0 0 0 24 27 1 0 0 0 0 25 21 2 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 29 24 1 0 0 0 0 30 23 2 0 0 0 0 31 23 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 31 2 0 0 0 0 35 34 1 0 0 0 0 3 8 1 0 0 0 0 28 24 2 0 0 0 0 20 19 2 0 0 0 0 33 35 2 0 0 0 0 M END > (P7119985690) P7119985690 > (P7119985690) 1 > (P7119985690) 6 > (P7119985690) 9 > (P7119985690) 4.800000000000000e+000 > (P7119985690) 4 > (P7119985690) 1.138000000000000e+002 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 1.5417 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.0833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 1.3958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4292 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1625 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 6 1 0 0 0 0 16 8 2 0 0 0 0 17 12 2 0 0 0 0 18 11 2 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 12 1 0 0 0 0 22 7 1 0 0 0 0 23 19 2 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 26 10 1 0 0 0 0 27 21 1 0 0 0 0 28 25 1 0 0 0 0 29 22 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 10 7 2 0 0 0 0 29 30 1 0 0 0 0 6 14 1 0 0 0 0 23 25 1 0 0 0 0 M END > (P7119985774) P7119985774 > (P7119985774) 1 > (P7119985774) 6 > (P7119985774) 6 > (P7119985774) 4.500000000000000e+000 > (P7119985774) 4 > (P7119985774) 1.163000000000000e+002 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 1.6792 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 1.2208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4250 -0.0917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 1.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 5 1 0 0 0 0 16 15 1 0 0 0 0 17 7 2 0 0 0 0 18 12 2 0 0 0 0 19 11 2 0 0 0 0 20 16 2 0 0 0 0 21 12 1 0 0 0 0 22 8 1 0 0 0 0 23 20 1 0 0 0 0 24 10 1 0 0 0 0 25 15 2 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 8 10 2 0 0 0 0 5 14 1 0 0 0 0 20 27 1 0 0 0 0 M END > (P7119985790) P7119985790 > (P7119985790) 1 > (P7119985790) 6 > (P7119985790) 6 > (P7119985790) 3.900000000000000e+000 > (P7119985790) 3 > (P7119985790) 1.163000000000000e+002 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 1.5292 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -1.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -1.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6667 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 14 1 0 0 0 0 21 11 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 20 1 0 0 0 0 25 18 2 0 0 0 0 26 22 1 0 0 0 0 27 25 1 0 0 0 0 6 7 1 0 0 0 0 16 15 1 0 0 0 0 21 27 2 0 0 0 0 M END > (P7119985909) P7119985909 > (P7119985909) 1 > (P7119985909) 5 > (P7119985909) 7 > (P7119985909) 3.900000000000000e+000 > (P7119985909) 3 > (P7119985909) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 28 30 0 0 0 0 0 0 0 0999 V2000 0.3250 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -1.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 1.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1500 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 16 11 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 16 1 0 0 0 0 20 8 1 0 0 0 0 21 20 2 0 0 0 0 22 14 1 0 0 0 0 23 21 1 0 0 0 0 24 19 1 0 0 0 0 25 24 1 0 0 0 0 26 22 1 0 0 0 0 27 22 1 0 0 0 0 28 25 1 0 0 0 0 5 6 1 0 0 0 0 18 15 1 0 0 0 0 16 23 2 0 0 0 0 M END > (P7119985910) P7119985910 > (P7119985910) 1 > (P7119985910) 5 > (P7119985910) 8 > (P7119985910) 4.500000000000000e+000 > (P7119985910) 3 > (P7119985910) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 0.0167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -2.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -2.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6500 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 1.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8292 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 13 1 0 0 0 0 21 16 1 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 13 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 21 1 0 0 0 0 28 22 2 0 0 0 0 29 28 1 0 0 0 0 5 6 1 0 0 0 0 17 18 1 0 0 0 0 24 29 2 0 0 0 0 M END > (P7119986272) P7119986272 > (P7119986272) 1 > (P7119986272) 6 > (P7119986272) 8 > (P7119986272) 3.900000000000000e+000 > (P7119986272) 3 > (P7119986272) 9.570000000000000e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 2.5500 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 1.0708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2917 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 2.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 1.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 5 1 0 0 0 0 16 15 1 0 0 0 0 17 8 2 0 0 0 0 18 12 2 0 0 0 0 19 11 2 0 0 0 0 20 16 2 0 0 0 0 21 12 1 0 0 0 0 22 7 1 0 0 0 0 23 20 1 0 0 0 0 24 10 1 0 0 0 0 25 15 2 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 24 1 0 0 0 0 31 28 1 0 0 0 0 10 7 2 0 0 0 0 29 30 1 0 0 0 0 5 14 1 0 0 0 0 20 27 1 0 0 0 0 M END > (P7119986501) P7119986501 > (P7119986501) 1 > (P7119986501) 6 > (P7119986501) 6 > (P7119986501) 4.600000000000000e+000 > (P7119986501) 4 > (P7119986501) 1.163000000000000e+002 $$$$ -ISIS- 08092202382D 29 31 0 0 0 0 0 0 0 0999 V2000 4.9917 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -8.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -6.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -8.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -8.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -6.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6292 -7.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -4.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0625 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 10 8 2 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 21 2 0 0 0 0 23 10 1 0 0 0 0 24 17 1 0 0 0 0 25 22 1 0 0 0 0 26 12 1 0 0 0 0 27 14 1 0 0 0 0 28 24 1 0 0 0 0 29 24 1 0 0 0 0 5 6 1 0 0 0 0 19 18 1 0 0 0 0 14 25 2 0 0 0 0 M END > (P7119986610) P7119986610 > (P7119986610) 1 > (P7119986610) 5 > (P7119986610) 7 > (P7119986610) 4.900000000000000e+000 > (P7119986610) 3 > (P7119986610) 8.650000000000000e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 6.9125 -5.8375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.5000 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -6.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -6.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -7.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -5.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -8.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -8.7167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -5.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -7.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -7.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 9 2 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 6 1 0 0 0 0 12 16 1 0 0 0 0 13 1 2 0 0 0 0 14 1 2 0 0 0 0 15 10 1 0 0 0 0 16 8 2 0 0 0 0 17 5 2 0 0 0 0 18 11 2 0 0 0 0 19 15 1 0 0 0 0 20 12 1 0 0 0 0 21 11 1 0 0 0 0 22 6 1 0 0 0 0 23 9 1 0 0 0 0 24 15 2 0 0 0 0 25 19 1 0 0 0 0 26 19 2 0 0 0 0 27 21 1 0 0 0 0 28 29 1 0 0 0 0 29 23 2 0 0 0 0 30 24 1 0 0 0 0 31 30 2 0 0 0 0 12 3 2 0 0 0 0 26 31 1 0 0 0 0 22 28 2 0 0 0 0 M END > (P7119986924) P7119986924 > (P7119986924) 1 > (P7119986924) 7 > (P7119986924) 7 > (P7119986924) 3.900000000000000e+000 > (P7119986924) 3 > (P7119986924) 1.237000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 2.3042 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 0.0333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 1.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2000 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 2.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -0.3875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 6 1 0 0 0 0 16 8 2 0 0 0 0 17 11 2 0 0 0 0 18 12 2 0 0 0 0 19 11 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 24 1 0 0 0 0 23 7 1 0 0 0 0 24 21 2 0 0 0 0 25 20 1 0 0 0 0 26 10 1 0 0 0 0 27 22 1 0 0 0 0 28 19 1 0 0 0 0 29 23 1 0 0 0 0 30 26 1 0 0 0 0 10 7 2 0 0 0 0 29 30 1 0 0 0 0 6 14 1 0 0 0 0 22 25 2 0 0 0 0 M END > (P7119986954) P7119986954 > (P7119986954) 2 > (P7119986954) 5 > (P7119986954) 4 > (P7119986954) 3.600000000000000e+000 > (P7119986954) 4 > (P7119986954) 1.191000000000000e+002 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 2.5542 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.2083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 1.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4417 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -0.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 11 1 0 0 0 0 16 6 1 0 0 0 0 17 27 1 0 0 0 0 18 17 1 0 0 0 0 19 8 2 0 0 0 0 20 11 2 0 0 0 0 21 17 2 0 0 0 0 22 18 1 0 0 0 0 23 12 2 0 0 0 0 24 21 1 0 0 0 0 25 16 1 0 0 0 0 26 16 2 0 0 0 0 27 15 1 0 0 0 0 28 31 2 0 0 0 0 29 7 1 0 0 0 0 30 25 2 0 0 0 0 31 26 1 0 0 0 0 32 10 1 0 0 0 0 33 28 1 0 0 0 0 34 29 1 0 0 0 0 35 32 1 0 0 0 0 10 7 2 0 0 0 0 34 35 1 0 0 0 0 6 14 1 0 0 0 0 24 22 2 0 0 0 0 30 28 1 0 0 0 0 M END > (P7119987281) P7119987281 > (P7119987281) 2 > (P7119987281) 5 > (P7119987281) 6 > (P7119987281) 4.000000000000000e+000 > (P7119987281) 5 > (P7119987281) 1.322000000000000e+002 $$$$ -ISIS- 08092202382D 35 38 0 0 0 0 0 0 0 0999 V2000 1.4000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 1.2708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8167 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -1.6125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0542 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -3.7542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 14 1 0 0 0 0 14 7 1 0 0 0 0 15 4 2 0 0 0 0 16 4 2 0 0 0 0 17 13 1 0 0 0 0 18 6 2 0 0 0 0 19 12 2 0 0 0 0 20 13 2 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 23 11 1 0 0 0 0 24 4 1 0 0 0 0 25 19 1 0 0 0 0 26 29 1 0 0 0 0 27 23 2 0 0 0 0 28 23 1 0 0 0 0 29 28 2 0 0 0 0 30 27 1 0 0 0 0 31 12 1 0 0 0 0 32 19 1 0 0 0 0 33 26 1 0 0 0 0 34 31 2 0 0 0 0 35 34 1 0 0 0 0 3 8 1 0 0 0 0 30 26 2 0 0 0 0 22 21 2 0 0 0 0 32 35 2 0 0 0 0 M END > (P7119987337) P7119987337 > (P7119987337) 1 > (P7119987337) 6 > (P7119987337) 8 > (P7119987337) 4.500000000000000e+000 > (P7119987337) 4 > (P7119987337) 1.138000000000000e+002 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.3708 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -2.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 0.8583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 23 18 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 6 7 1 0 0 0 0 16 14 2 0 0 0 0 20 25 2 0 0 0 0 M END > (P7119987467) P7119987467 > (P7119987467) 1 > (P7119987467) 4 > (P7119987467) 6 > (P7119987467) 4.000000000000000e+000 > (P7119987467) 3 > (P7119987467) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 35 39 0 0 0 0 0 0 0 0999 V2000 7.9500 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -4.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -4.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1250 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -7.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -6.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -8.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -5.7292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 7 2 0 0 0 0 18 8 2 0 0 0 0 19 12 2 0 0 0 0 20 16 2 0 0 0 0 21 16 1 0 0 0 0 22 15 1 0 0 0 0 23 24 1 0 0 0 0 24 21 2 0 0 0 0 25 20 1 0 0 0 0 26 23 1 0 0 0 0 27 10 1 0 0 0 0 28 11 1 0 0 0 0 29 22 2 0 0 0 0 30 22 1 0 0 0 0 31 27 2 0 0 0 0 32 28 2 0 0 0 0 33 30 2 0 0 0 0 34 29 1 0 0 0 0 35 33 1 0 0 0 0 10 11 2 0 0 0 0 32 31 1 0 0 0 0 34 35 2 0 0 0 0 6 14 1 0 0 0 0 25 23 2 0 0 0 0 M END > (P7119988151) P7119988151 > (P7119988151) 2 > (P7119988151) 5 > (P7119988151) 5 > (P7119988151) 4.200000000000000e+000 > (P7119988151) 5 > (P7119988151) 1.040000000000000e+002 $$$$ -ISIS- 08092202382D 23 24 0 0 0 0 0 0 0 0999 V2000 1.0417 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.5417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -3.4250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 2 0 0 0 0 7 10 2 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 6 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 15 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 7 5 1 0 0 0 0 16 23 2 0 0 0 0 M END > (P7119988790) P7119988790 > (P7119988790) 1 > (P7119988790) 5 > (P7119988790) 7 > (P7119988790) 4.300000000000000e+000 > (P7119988790) 2 > (P7119988790) 8.940000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.4083 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 1.7000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -1.3125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 3 2 0 0 0 0 12 15 2 0 0 0 0 13 2 1 0 0 0 0 14 4 2 0 0 0 0 15 11 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 8 9 1 0 0 0 0 21 22 2 0 0 0 0 10 12 1 0 0 0 0 M END > (P7119988805) P7119988805 > (P7119988805) 1 > (P7119988805) 6 > (P7119988805) 5 > (P7119988805) 4.200000000000000e+000 > (P7119988805) 3 > (P7119988805) 1.191000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 2.1042 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6083 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 13 1 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 14 4 1 0 0 0 0 15 3 1 0 0 0 0 16 7 1 0 0 0 0 17 9 1 0 0 0 0 18 7 2 0 0 0 0 19 15 2 0 0 0 0 20 13 2 0 0 0 0 21 12 2 0 0 0 0 22 17 2 0 0 0 0 23 16 1 0 0 0 0 24 28 1 0 0 0 0 25 11 1 0 0 0 0 26 23 2 0 0 0 0 27 23 1 0 0 0 0 28 27 2 0 0 0 0 29 26 1 0 0 0 0 30 15 1 0 0 0 0 31 14 1 0 0 0 0 32 24 1 0 0 0 0 33 19 1 0 0 0 0 34 32 1 0 0 0 0 35 25 2 0 0 0 0 36 31 2 0 0 0 0 11 14 2 0 0 0 0 36 35 1 0 0 0 0 29 24 2 0 0 0 0 3 9 2 0 0 0 0 19 22 1 0 0 0 0 M END > (P7119988823) P7119988823 > (P7119988823) 2 > (P7119988823) 5 > (P7119988823) 5 > (P7119988823) 4.700000000000000e+000 > (P7119988823) 5 > (P7119988823) 1.069000000000000e+002 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 -0.1333 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 0.6750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 17 2 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 19 1 0 0 0 0 5 6 1 0 0 0 0 14 16 1 0 0 0 0 15 22 2 0 0 0 0 M END > (P7119988923) P7119988923 > (P7119988923) 1 > (P7119988923) 4 > (P7119988923) 4 > (P7119988923) 3.600000000000000e+000 > (P7119988923) 3 > (P7119988923) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 0.5917 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -2.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 1.2625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 12 2 0 0 0 0 17 14 1 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 19 1 0 0 0 0 22 18 2 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 6 7 1 0 0 0 0 14 16 1 0 0 0 0 20 24 2 0 0 0 0 M END > (P7119989472) P7119989472 > (P7119989472) 1 > (P7119989472) 4 > (P7119989472) 5 > (P7119989472) 4.000000000000000e+000 > (P7119989472) 3 > (P7119989472) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 0.9625 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -2.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -0.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 0.8458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 2.0375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 18 1 0 0 0 0 16 23 2 0 0 0 0 17 12 1 0 0 0 0 18 13 2 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 14 1 0 0 0 0 22 14 2 0 0 0 0 23 22 1 0 0 0 0 24 21 2 0 0 0 0 25 9 1 0 0 0 0 5 6 1 0 0 0 0 17 15 2 0 0 0 0 24 16 1 0 0 0 0 M END > (P7119989473) P7119989473 > (P7119989473) 1 > (P7119989473) 4 > (P7119989473) 5 > (P7119989473) 4.200000000000000e+000 > (P7119989473) 3 > (P7119989473) 7.730000000000001e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 1.3292 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -1.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3292 -3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 4 1 0 0 0 0 11 3 2 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 6 2 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 13 1 0 0 0 0 18 16 2 0 0 0 0 19 5 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 8 1 0 0 0 0 23 12 1 0 0 0 0 24 13 1 0 0 0 0 25 11 1 0 0 0 0 10 21 2 0 0 0 0 12 17 2 0 0 0 0 11 18 1 0 0 0 0 M END > (P7119989549) P7119989549 > (P7119989549) 1 > (P7119989549) 3 > (P7119989549) 4 > (P7119989549) 4.400000000000000e+000 > (P7119989549) 3 > (P7119989549) 5.119999999999999e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 3.2417 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -5.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -7.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -7.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 13 1 0 0 0 0 13 8 2 0 0 0 0 14 4 2 0 0 0 0 15 10 2 0 0 0 0 16 15 1 0 0 0 0 17 8 1 0 0 0 0 18 17 2 0 0 0 0 19 5 2 0 0 0 0 20 7 2 0 0 0 0 21 10 1 0 0 0 0 22 18 1 0 0 0 0 23 11 1 0 0 0 0 24 15 1 0 0 0 0 25 16 1 0 0 0 0 26 20 1 0 0 0 0 27 19 1 0 0 0 0 28 21 2 0 0 0 0 29 28 1 0 0 0 0 5 7 1 0 0 0 0 12 22 2 0 0 0 0 27 26 2 0 0 0 0 24 29 2 0 0 0 0 M END > (P7119989573) P7119989573 > (P7119989573) 1 > (P7119989573) 4 > (P7119989573) 6 > (P7119989573) 4.400000000000000e+000 > (P7119989573) 4 > (P7119989573) 7.359999999999998e+001 $$$$ -ISIS- 08092202382D 22 24 0 0 0 0 0 0 0 0999 V2000 -1.0875 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1708 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 7 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 7 1 0 0 0 0 16 11 1 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 13 1 0 0 0 0 20 15 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 8 5 2 0 0 0 0 14 12 1 0 0 0 0 17 22 2 0 0 0 0 M END > (P7119989614) P7119989614 > (P7119989614) 1 > (P7119989614) 3 > (P7119989614) 4 > (P7119989614) 3.300000000000000e+000 > (P7119989614) 3 > (P7119989614) 6.440000000000001e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 2.9875 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -3.8125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2125 -2.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -2.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 12 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 5 1 0 0 0 0 12 16 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 5 2 0 0 0 0 16 17 1 0 0 0 0 17 11 1 0 0 0 0 18 7 2 0 0 0 0 19 3 1 0 0 0 0 20 9 1 0 0 0 0 21 23 2 0 0 0 0 22 8 1 0 0 0 0 23 24 1 0 0 0 0 24 17 2 0 0 0 0 25 19 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 8 4 2 0 0 0 0 12 21 1 0 0 0 0 14 13 2 0 0 0 0 M END > (P7130042) P7130042 > (P7130042) 1 > (P7130042) 4 > (P7130042) 7 > (P7130042) 3.400000000000000e+000 > (P7130042) 3 > (P7130042) 1.051000000000000e+002 $$$$ -ISIS- 08092202382D 30 33 0 0 0 0 0 0 0 0999 V2000 3.5542 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -4.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2250 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -3.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8917 -2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 0.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 -1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -4.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7500 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 13 2 0 0 0 0 12 6 1 0 0 0 0 13 3 1 0 0 0 0 14 2 1 0 0 0 0 15 6 1 0 0 0 0 16 7 2 0 0 0 0 17 8 1 0 0 0 0 9 18 1 6 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 15 1 0 0 0 0 22 15 2 0 0 0 0 23 24 2 0 0 0 0 24 22 1 0 0 0 0 25 21 2 0 0 0 0 26 23 1 0 0 0 0 27 18 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 27 1 0 0 0 0 5 8 2 0 0 0 0 17 20 2 0 0 0 0 11 12 1 0 0 0 0 23 25 1 0 0 0 0 M END > (P7131621) P7131621 > (P7131621) 2 > (P7131621) 5 > (P7131621) 7 > (P7131621) 3.300000000000000e+000 > (P7131621) 4 > (P7131621) 9.719999999999999e+001 $$$$ -ISIS- 08092202382D 23 26 0 0 0 0 0 0 0 0999 V2000 0.3000 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5833 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 3.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 3.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 11 2 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 14 2 0 0 0 0 21 15 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 2 4 1 0 0 0 0 10 9 2 0 0 0 0 22 18 1 0 0 0 0 20 23 1 0 0 0 0 M END > (P7210480019) P7210480019 > (P7210480019) 1 > (P7210480019) 4 > (P7210480019) 3 > (P7210480019) 3.100000000000000e+000 > (P7210480019) 4 > (P7210480019) 8.280000000000000e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 -0.7958 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5708 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6125 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 2.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 9 2 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 13 2 0 0 0 0 19 12 1 0 0 0 0 20 23 2 0 0 0 0 21 8 1 0 0 0 0 22 17 2 0 0 0 0 23 18 1 0 0 0 0 24 20 1 0 0 0 0 25 14 2 0 0 0 0 26 14 1 0 0 0 0 27 19 1 0 0 0 0 28 27 1 0 0 0 0 29 25 1 0 0 0 0 30 26 2 0 0 0 0 31 30 1 0 0 0 0 3 6 1 0 0 0 0 20 22 1 0 0 0 0 8 10 1 0 0 0 0 31 29 2 0 0 0 0 M END > (P7210480059) P7210480059 > (P7210480059) 2 > (P7210480059) 4 > (P7210480059) 6 > (P7210480059) 4.300000000000000e+000 > (P7210480059) 4 > (P7210480059) 8.530000000000000e+001 $$$$ -ISIS- 08092202382D 21 23 0 0 0 0 0 0 0 0999 V2000 -1.7458 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -0.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6833 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 2.4958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 14 1 0 0 0 0 13 9 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 8 2 0 0 0 0 18 8 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 3 5 2 0 0 0 0 15 12 2 0 0 0 0 21 19 2 0 0 0 0 M END > (P7210480063) P7210480063 > (P7210480063) 1 > (P7210480063) 3 > (P7210480063) 3 > (P7210480063) 4.500000000000000e+000 > (P7210480063) 3 > (P7210480063) 5.040000000000000e+001 $$$$ -ISIS- 08092202382D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.9625 0.9208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4500 0.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 5 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 1 1 0 0 0 0 11 6 2 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 16 7 1 0 0 0 0 17 6 1 0 0 0 0 18 10 2 0 0 0 0 19 10 1 0 0 0 0 20 13 2 0 0 0 0 21 13 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 24 20 1 0 0 0 0 25 18 1 0 0 0 0 26 23 1 0 0 0 0 27 22 1 0 0 0 0 27 25 2 0 0 0 0 26 24 2 0 0 0 0 14 11 1 0 0 0 0 M END > (P7210510134) P7210510134 > (P7210510134) 2 > (P7210510134) 5 > (P7210510134) 5 > (P7210510134) 4.100000000000000e+000 > (P7210510134) 3 > (P7210510134) 8.710000000000001e+001 $$$$ -ISIS- 08092202382D 32 36 0 0 0 0 0 0 0 0999 V2000 1.8042 1.1958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3625 0.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3625 1.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2625 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 1.1958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2625 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 0.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5375 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 2.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 4 2 0 0 0 0 13 11 2 0 0 0 0 14 5 1 0 0 0 0 15 6 2 0 0 0 0 16 9 2 0 0 0 0 17 18 2 0 0 0 0 18 16 1 0 0 0 0 19 13 1 0 0 0 0 20 10 1 0 0 0 0 21 17 1 0 0 0 0 22 14 2 0 0 0 0 23 14 1 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 23 2 0 0 0 0 28 22 1 0 0 0 0 29 24 1 0 0 0 0 30 25 2 0 0 0 0 31 27 1 0 0 0 0 32 30 1 0 0 0 0 2 3 1 0 0 0 0 7 5 1 0 0 0 0 29 32 2 0 0 0 0 13 17 1 0 0 0 0 28 31 2 0 0 0 0 M END > (P7211310001) P7211310001 > (P7211310001) 1 > (P7211310001) 6 > (P7211310001) 5 > (P7211310001) 3.600000000000000e+000 > (P7211310001) 5 > (P7211310001) 7.930000000000001e+001 $$$$ -ISIS- 08092202382D 30 35 0 0 0 0 0 0 0 0999 V2000 3.3750 -2.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -1.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -2.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -2.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -4.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0167 -1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 17 1 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 14 1 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 15 1 0 0 0 0 20 13 1 0 0 0 0 21 8 1 0 0 0 0 22 20 1 0 0 0 0 23 9 1 0 0 0 0 24 22 2 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 28 25 2 0 0 0 0 29 24 1 0 0 0 0 30 28 1 0 0 0 0 6 5 1 0 0 0 0 7 9 1 0 0 0 0 18 13 1 0 0 0 0 27 23 2 0 0 0 0 19 16 2 0 0 0 0 29 30 2 0 0 0 0 M END > (P7212060098) P7212060098 > (P7212060098) 0 > (P7212060098) 4 > (P7212060098) 3 > (P7212060098) 4.500000000000000e+000 > (P7212060098) 6 > (P7212060098) 4.119999999999999e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.4833 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -0.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -0.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 6 1 0 0 0 0 14 15 2 0 0 0 0 15 12 1 0 0 0 0 16 11 2 0 0 0 0 17 9 1 0 0 0 0 18 9 2 0 0 0 0 19 12 1 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 17 2 0 0 0 0 23 21 2 0 0 0 0 3 6 2 0 0 0 0 16 14 1 0 0 0 0 22 23 1 0 0 0 0 M END > (P7212090765) P7212090765 > (P7212090765) 2 > (P7212090765) 3 > (P7212090765) 3 > (P7212090765) 4.100000000000000e+000 > (P7212090765) 3 > (P7212090765) 9.619999999999999e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 9.8167 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -4.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -4.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -6.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6417 -7.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -8.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 10 1 0 0 0 0 16 3 1 0 0 0 0 17 11 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 17 1 0 0 0 0 23 17 2 0 0 0 0 24 19 1 0 0 0 0 25 18 1 0 0 0 0 26 21 2 0 0 0 0 27 20 1 0 0 0 0 28 23 1 0 0 0 0 29 22 2 0 0 0 0 30 26 1 0 0 0 0 31 28 2 0 0 0 0 4 3 2 0 0 0 0 27 30 2 0 0 0 0 31 29 1 0 0 0 0 M END > (P7212091028) P7212091028 > (P7212091028) 1 > (P7212091028) 6 > (P7212091028) 9 > (P7212091028) 5.000000000000000e+000 > (P7212091028) 3 > (P7212091028) 1.352000000000000e+002 $$$$ -ISIS- 08092202382D 36 40 0 0 0 0 0 0 0 0999 V2000 -0.8208 2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 1.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1292 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 1.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7500 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7500 2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 3.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -3.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 18 1 0 0 0 0 13 9 2 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 16 10 2 0 0 0 0 17 6 1 0 0 0 0 18 22 2 0 0 0 0 19 12 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 25 2 0 0 0 0 25 13 1 0 0 0 0 26 10 1 0 0 0 0 27 12 1 0 0 0 0 28 24 1 0 0 0 0 29 17 2 0 0 0 0 30 17 1 0 0 0 0 31 26 1 0 0 0 0 32 27 1 0 0 0 0 33 28 1 0 0 0 0 34 30 2 0 0 0 0 35 29 1 0 0 0 0 36 34 1 0 0 0 0 7 6 1 0 0 0 0 5 3 1 0 0 0 0 23 18 1 0 0 0 0 36 35 2 0 0 0 0 16 24 1 0 0 0 0 M END > (P7213000008) P7213000008 > (P7213000008) 0 > (P7213000008) 8 > (P7213000008) 7 > (P7213000008) 3.700000000000000e+000 > (P7213000008) 5 > (P7213000008) 9.460000000000002e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.7083 0.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0250 0.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 1.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1250 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.4375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8083 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 0.5958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.6958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 1.6208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 7 1 0 0 0 0 17 9 1 0 0 0 0 18 8 1 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 17 2 0 0 0 0 22 18 2 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 24 1 0 0 0 0 8 9 2 0 0 0 0 22 21 1 0 0 0 0 23 25 2 0 0 0 0 M END > (P7215630005) P7215630005 > (P7215630005) 1 > (P7215630005) 3 > (P7215630005) 4 > (P7215630005) 4.500000000000000e+000 > (P7215630005) 3 > (P7215630005) 5.080000000000000e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 0.6375 1.5583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -0.2417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -1.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 1.5583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4000 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9625 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 3 1 0 0 0 0 14 1 2 0 0 0 0 15 1 2 0 0 0 0 16 20 2 0 0 0 0 17 8 2 0 0 0 0 18 11 2 0 0 0 0 19 13 2 0 0 0 0 20 18 1 0 0 0 0 21 30 1 0 0 0 0 22 10 1 0 0 0 0 23 10 1 0 0 0 0 24 13 1 0 0 0 0 25 5 1 0 0 0 0 26 9 1 0 0 0 0 27 16 1 0 0 0 0 28 26 1 0 0 0 0 29 22 1 0 0 0 0 30 23 1 0 0 0 0 31 24 1 0 0 0 0 32 27 1 0 0 0 0 33 31 1 0 0 0 0 29 21 1 0 0 0 0 6 16 1 0 0 0 0 5 9 2 0 0 0 0 25 28 1 0 0 0 0 M END > (P7215700316) P7215700316 > (P7215700316) 1 > (P7215700316) 7 > (P7215700316) 8 > (P7215700316) 2.300000000000000e+000 > (P7215700316) 4 > (P7215700316) 1.479000000000000e+002 $$$$ -ISIS- 08092202382D 24 26 0 0 0 0 0 0 0 0999 V2000 8.4792 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -5.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3792 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -6.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -3.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -6.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -7.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6917 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0917 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -10.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4792 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8042 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 1 2 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 2 1 0 0 0 0 14 3 2 0 0 0 0 15 4 1 0 0 0 0 16 6 2 0 0 0 0 17 9 1 0 0 0 0 18 8 1 0 0 0 0 19 21 1 0 0 0 0 20 14 1 0 0 0 0 21 15 2 0 0 0 0 22 20 2 0 0 0 0 23 24 1 0 0 0 0 24 18 2 0 0 0 0 13 19 2 0 0 0 0 23 17 2 0 0 0 0 22 16 1 0 0 0 0 M END > (P7216050104) P7216050104 > (P7216050104) 2 > (P7216050104) 4 > (P7216050104) 4 > (P7216050104) 3.200000000000000e+000 > (P7216050104) 3 > (P7216050104) 7.930000000000001e+001 $$$$ -ISIS- 08092202382D 26 28 0 0 0 0 0 0 0 0999 V2000 3.2125 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -0.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -3.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 3 2 0 0 0 0 16 4 1 0 0 0 0 17 6 2 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 22 24 1 0 0 0 0 23 21 2 0 0 0 0 24 16 2 0 0 0 0 25 18 2 0 0 0 0 26 25 1 0 0 0 0 22 14 2 0 0 0 0 19 26 2 0 0 0 0 17 23 1 0 0 0 0 M END > (P7216050107) P7216050107 > (P7216050107) 2 > (P7216050107) 4 > (P7216050107) 5 > (P7216050107) 3.700000000000000e+000 > (P7216050107) 3 > (P7216050107) 7.559999999999999e+001 $$$$ -ISIS- 08092202382D 23 25 0 0 0 0 0 0 0 0999 V2000 3.5417 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 0.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -2.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -3.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 1 2 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 5 2 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 7 2 0 0 0 0 20 16 1 0 0 0 0 21 23 1 0 0 0 0 22 20 2 0 0 0 0 23 18 2 0 0 0 0 21 17 2 0 0 0 0 12 13 2 0 0 0 0 22 19 1 0 0 0 0 M END > (P7216050110) P7216050110 > (P7216050110) 2 > (P7216050110) 4 > (P7216050110) 4 > (P7216050110) 2.800000000000000e+000 > (P7216050110) 3 > (P7216050110) 1.075000000000000e+002 $$$$ -ISIS- 08092202382D 24 28 0 0 0 0 0 0 0 0999 V2000 3.8042 -7.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9917 -7.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -6.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9042 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -8.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6542 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -8.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -6.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -9.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -9.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 13 1 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 22 17 2 0 0 0 0 23 18 2 0 0 0 0 24 21 1 0 0 0 0 4 6 1 0 0 0 0 10 9 2 0 0 0 0 24 20 1 0 0 0 0 23 22 1 0 0 0 0 13 14 2 0 0 0 0 M END > (P7218010703) P7218010703 > (P7218010703) 0 > (P7218010703) 3 > (P7218010703) 1 > (P7218010703) 3.900000000000000e+000 > (P7218010703) 5 > (P7218010703) 3.800000000000000e+001 $$$$ -ISIS- 08092202382D 25 29 0 0 0 0 0 0 0 0999 V2000 3.3792 -1.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 4 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 16 2 0 0 0 0 22 17 2 0 0 0 0 23 20 1 0 0 0 0 24 19 2 0 0 0 0 25 23 2 0 0 0 0 5 7 1 0 0 0 0 10 9 2 0 0 0 0 25 24 1 0 0 0 0 21 22 1 0 0 0 0 13 14 2 0 0 0 0 M END > (P7218010873) P7218010873 > (P7218010873) 0 > (P7218010873) 3 > (P7218010873) 2 > (P7218010873) 4.200000000000000e+000 > (P7218010873) 5 > (P7218010873) 3.800000000000000e+001 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 2.1417 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9250 2.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 2.0708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4125 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 3.7958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 0.9458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4750 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 11 1 0 0 0 0 17 21 2 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 16 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 10 1 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 7 5 1 0 0 0 0 9 6 1 0 0 0 0 22 17 1 0 0 0 0 M END > (P7560077) P7560077 > (P7560077) 0 > (P7560077) 4 > (P7560077) 4 > (P7560077) 3.400000000000000e+000 > (P7560077) 3 > (P7560077) 6.770000000000000e+001 $$$$ -ISIS- 08092202382D 31 33 0 0 0 0 0 0 0 0999 V2000 4.4125 -13.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -13.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -15.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1250 -13.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -13.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -13.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -13.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -14.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -15.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -12.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -15.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -12.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -15.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -15.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -13.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -15.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -13.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -12.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -14.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -16.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -15.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -15.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -12.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -12.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -14.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -16.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 10 2 0 0 0 0 9 5 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 2 2 0 0 0 0 13 5 2 0 0 0 0 14 11 2 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 11 1 0 0 0 0 18 6 2 0 0 0 0 19 7 2 0 0 0 0 20 8 1 0 0 0 0 21 10 1 0 0 0 0 22 17 1 0 0 0 0 23 16 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 18 1 0 0 0 0 27 29 1 0 0 0 0 28 26 2 0 0 0 0 29 21 2 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 7 4 1 0 0 0 0 19 28 1 0 0 0 0 20 27 2 0 0 0 0 M END > (P7561705) P7561705 > (P7561705) 2 > (P7561705) 5 > (P7561705) 9 > (P7561705) 3.700000000000000e+000 > (P7561705) 3 > (P7561705) 9.590000000000002e+001 $$$$ -ISIS- 08092202382D 30 32 0 0 0 0 0 0 0 0999 V2000 5.8375 -13.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -14.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -14.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1167 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -13.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -13.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -14.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -13.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -13.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -13.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -14.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -15.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -14.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -14.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -12.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -14.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -15.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -13.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -13.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -15.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1167 -14.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -13.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -14.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -15.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -15.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -11.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 10 2 0 0 0 0 9 5 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 2 2 0 0 0 0 14 5 2 0 0 0 0 15 11 2 0 0 0 0 16 4 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 6 2 0 0 0 0 20 7 2 0 0 0 0 21 8 1 0 0 0 0 22 10 1 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 26 30 1 0 0 0 0 27 25 2 0 0 0 0 28 23 1 0 0 0 0 29 23 1 0 0 0 0 30 22 2 0 0 0 0 7 3 1 0 0 0 0 20 27 1 0 0 0 0 21 26 2 0 0 0 0 M END > (P7561751) P7561751 > (P7561751) 2 > (P7561751) 5 > (P7561751) 7 > (P7561751) 3.100000000000000e+000 > (P7561751) 3 > (P7561751) 9.590000000000002e+001 $$$$ -ISIS- 08092202382D 32 35 0 0 0 0 0 0 0 0999 V2000 6.2000 -12.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -12.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2042 -13.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -12.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -12.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -14.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9125 -12.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -13.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -14.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -12.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -12.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -13.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -13.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -14.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -11.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -11.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -11.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -14.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -14.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 -12.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -14.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -15.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -14.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -12.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -12.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -13.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -13.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -14.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -14.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 9 1 0 0 0 0 15 3 2 0 0 0 0 16 5 2 0 0 0 0 17 7 2 0 0 0 0 18 4 1 0 0 0 0 19 6 1 0 0 0 0 20 8 1 0 0 0 0 21 12 1 0 0 0 0 22 11 2 0 0 0 0 23 13 2 0 0 0 0 24 14 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 2 0 0 0 0 28 22 1 0 0 0 0 29 28 2 0 0 0 0 30 24 2 0 0 0 0 31 26 1 0 0 0 0 32 25 1 0 0 0 0 13 6 1 0 0 0 0 23 29 1 0 0 0 0 12 14 2 0 0 0 0 30 27 1 0 0 0 0 M END > (P7561847) P7561847 > (P7561847) 2 > (P7561847) 5 > (P7561847) 6 > (P7561847) 2.900000000000000e+000 > (P7561847) 4 > (P7561847) 1.023000000000000e+002 $$$$ -ISIS- 08092202382D 25 27 0 0 0 0 0 0 0 0999 V2000 2.1417 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 0.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9375 2.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 2.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 3.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 24 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 25 23 2 0 0 0 0 M END > (P7563283) P7563283 > (P7563283) 0 > (P7563283) 4 > (P7563283) 5 > (P7563283) 3.300000000000000e+000 > (P7563283) 3 > (P7563283) 6.770000000000000e+001 $$$$ -ISIS- 08092202382D 21 22 0 0 0 0 0 0 0 0999 V2000 3.8292 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -2.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.0292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5917 -3.5042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 1 2 0 0 0 0 4 9 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 2 2 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 1 1 0 0 0 0 12 13 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 3 1 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 7 1 0 0 0 0 19 9 1 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 10 8 1 0 0 0 0 6 4 1 0 0 0 0 M END > (P7566233) P7566233 > (P7566233) 1 > (P7566233) 3 > (P7566233) 4 > (P7566233) 2.700000000000000e+000 > (P7566233) 2 > (P7566233) 8.810000000000002e+001 $$$$ -ISIS- 08092202382D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.5958 3.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 5.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 3.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4333 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.5333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2750 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 9 2 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 11 2 0 0 0 0 10 16 1 6 0 0 0 17 11 1 0 0 0 0 18 9 1 0 0 0 0 19 13 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 7 5 1 0 0 0 0 13 8 2 0 0 0 0 M END > (P7567815) P7567815 > (P7567815) 1 > (P7567815) 5 > (P7567815) 5 > (P7567815) 1.300000000000000e+000 > (P7567815) 2 > (P7567815) 9.430000000000000e+001 $$$$ -ISIS- 08092202382D 24 25 0 0 0 0 0 0 0 0999 V2000 -2.5958 3.8458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8750 4.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4333 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 6.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.5333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2750 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 11 20 1 6 0 0 0 21 12 1 0 0 0 0 22 20 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 8 3 1 0 0 0 0 19 18 2 0 0 0 0 M END > (P7567832) P7567832 > (P7567832) 1 > (P7567832) 5 > (P7567832) 7 > (P7567832) 1.100000000000000e+000 > (P7567832) 2 > (P7567832) 1.012000000000000e+002 $$$$ -ISIS- 08092202382D 26 27 0 0 0 0 0 0 0 0999 V2000 -2.5958 3.8458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8833 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4333 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.5333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2792 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 6.7375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 12 2 0 0 0 0 11 17 1 6 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 7 1 0 0 0 0 21 13 1 0 0 0 0 22 17 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 20 2 0 0 0 0 26 25 1 0 0 0 0 8 3 1 0 0 0 0 26 21 2 0 0 0 0 M END > (P7567837) P7567837 > (P7567837) 1 > (P7567837) 5 > (P7567837) 7 > (P7567837) 2.400000000000000e+000 > (P7567837) 2 > (P7567837) 8.810000000000002e+001 $$$$ -ISIS- 08092202382D 28 31 0 0 0 0 0 0 0 0999 V2000 5.7542 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -4.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3167 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -5.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -4.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5292 -4.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -6.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -4.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -5.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -1.9792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 15 1 0 0 0 0 24 16 2 0 0 0 0 25 16 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 6 10 2 0 0 0 0 3 5 1 0 0 0 0 17 22 2 0 0 0 0 27 28 2 0 0 0 0 M END > (P7569349) P7569349 > (P7569349) 2 > (P7569349) 5 > (P7569349) 4 > (P7569349) 3.600000000000000e+000 > (P7569349) 4 > (P7569349) 9.710000000000001e+001 $$$$ -ISIS- 08092202382D 31 34 0 0 0 0 0 0 0 0999 V2000 5.1417 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4167 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -4.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1417 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -6.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -6.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -5.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -1.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7000 -5.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -1.9875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -1.9875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 15 1 0 0 0 0 11 4 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 5 1 0 0 0 0 15 22 2 0 0 0 0 16 13 1 0 0 0 0 17 4 2 0 0 0 0 18 16 2 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 13 2 0 0 0 0 22 20 1 0 0 0 0 23 19 2 0 0 0 0 24 10 1 0 0 0 0 25 10 1 0 0 0 0 26 10 1 0 0 0 0 27 29 2 0 0 0 0 28 6 1 0 0 0 0 29 21 1 0 0 0 0 30 16 1 0 0 0 0 31 27 1 0 0 0 0 2 3 1 0 0 0 0 23 15 1 0 0 0 0 8 12 1 0 0 0 0 18 27 1 0 0 0 0 M END > (P7569350) P7569350 > (P7569350) 2 > (P7569350) 4 > (P7569350) 4 > (P7569350) 4.200000000000000e+000 > (P7569350) 4 > (P7569350) 7.180000000000000e+001 $$$$ -ISIS- 08092202382D 33 36 0 0 0 0 0 0 0 0999 V2000 5.5375 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -5.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0917 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -4.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3250 -5.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6625 -5.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.7792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.9792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.2292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -1.9792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -6.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 15 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 5 1 0 0 0 0 15 21 1 0 0 0 0 16 7 2 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 11 1 0 0 0 0 24 11 1 0 0 0 0 25 11 1 0 0 0 0 26 8 1 0 0 0 0 27 18 1 0 0 0 0 28 13 2 0 0 0 0 29 18 2 0 0 0 0 30 17 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 32 2 0 0 0 0 6 10 2 0 0 0 0 3 5 1 0 0 0 0 15 22 2 0 0 0 0 29 33 1 0 0 0 0 M END > (P7569354) P7569354 > (P7569354) 2 > (P7569354) 6 > (P7569354) 6 > (P7569354) 4.300000000000000e+000 > (P7569354) 4 > (P7569354) 1.064000000000000e+002 $$$$ -ISIS- 08092202382D 27 30 0 0 0 0 0 0 0 0999 V2000 4.6417 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.9125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2000 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -3.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -4.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.4958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 5 1 0 0 0 0 13 9 2 0 0 0 0 14 12 2 0 0 0 0 15 12 1 0 0 0 0 16 11 1 0 0 0 0 17 19 1 0 0 0 0 18 6 1 0 0 0 0 19 15 2 0 0 0 0 20 14 1 0 0 0 0 21 17 1 0 0 0 0 22 10 1 0 0 0 0 23 16 1 0 0 0 0 24 16 2 0 0 0 0 25 24 1 0 0 0 0 26 23 2 0 0 0 0 27 25 2 0 0 0 0 8 10 2 0 0 0 0 3 5 1 0 0 0 0 17 20 2 0 0 0 0 26 27 1 0 0 0 0 M END > (P7569386) P7569386 > (P7569386) 2 > (P7569386) 4 > (P7569386) 3 > (P7569386) 2.900000000000000e+000 > (P7569386) 4 > (P7569386) 7.180000000000000e+001 $$$$ -ISIS- 08092202382D 29 32 0 0 0 0 0 0 0 0999 V2000 3.2292 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.0583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9750 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 0.7208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 18 1 0 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 16 2 0 0 0 0 20 8 1 0 0 0 0 21 19 1 0 0 0 0 22 23 1 0 0 0 0 23 13 2 0 0 0 0 24 22 2 0 0 0 0 25 20 1 0 0 0 0 26 20 2 0 0 0 0 27 26 1 0 0 0 0 28 25 2 0 0 0 0 29 27 2 0 0 0 0 2 5 1 0 0 0 0 24 19 1 0 0 0 0 15 17 2 0 0 0 0 28 29 1 0 0 0 0 M END > (P7717730057) P7717730057 > (P7717730057) 1 > (P7717730057) 4 > (P7717730057) 7 > (P7717730057) 3.700000000000000e+000 > (P7717730057) 4 > (P7717730057) 8.790000000000001e+001 $$$$