-ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -3.8676 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8676 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3289 -1.4332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -2.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -2.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3289 -2.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -2.7421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 -0.9329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 1.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 2.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 1.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0015 2.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8676 2.5671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 1.2009 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 2.9328 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 2 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > (Z1779286537) Z1779286537 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -1.4713 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6327 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 2.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 1.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3057 0.1182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 -0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 -1.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3672 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 -1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 -1.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 -2.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3672 -1.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 0.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 -0.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END > (Z1870458719) Z1870458719 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 2.1650 1.9330 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -1.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0671 -0.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 0.4331 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 M END > (Z45635794) Z45635794 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -0.3298 4.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 3.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 2.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 1.8407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9267 2.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4267 1.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7577 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 0.8461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0221 0.3461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 -0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -1.1538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -2.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 -2.6539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8881 -2.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -2.4628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 -3.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 -4.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 -1.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -0.8449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8881 -1.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 10 20 2 0 0 0 0 14 20 1 0 0 0 0 M END > (Z2274559424) Z2274559424 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 -0.0005 -1.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 -1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2605 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5696 -1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7606 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7606 0.2693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8945 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8945 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7035 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7035 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 0.2693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 2 0 0 0 0 16 17 1 0 0 0 0 8 17 2 0 0 0 0 M END > (Z246178674) Z246178674 $$$$ -ISIS- -- StrEd -- 14 15 0 0 0 0 0 0 0 0999 V2000 1.7680 2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -0.2536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 -1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3612 -2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -1.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -0.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 M END > (Z2940715402) Z2940715402 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -3.7897 -3.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7897 -2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 -1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 -0.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -0.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -0.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9989 -1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -2.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -2.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1885 0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 1.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 3.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4357 2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7897 1.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 0.3704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 6 12 2 0 0 0 0 12 13 1 0 0 0 0 3 13 2 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 14 21 2 0 0 0 0 M END > (Z2017148517) Z2017148517 $$$$ -ISIS- -- StrEd -- 24 27 0 0 1 0 0 0 0 0999 V2000 -4.3209 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 0.5651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7334 1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 1.0651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8311 1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 0.5651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8311 -0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 0.0651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7334 -0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7567 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2567 1.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2567 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0228 -0.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -1.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 -2.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1434 -1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0228 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 1.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 1.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 2.2704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 1 0 0 0 2 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 18 24 2 0 0 0 0 M END > (Z1907501401) Z1907501401 $$$$ -ISIS- -- StrEd -- 14 14 0 0 0 0 0 0 0 0999 V2000 -1.2243 -0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2243 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0906 0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.8513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -0.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 0.8513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8227 0.0148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 -0.8513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 -0.6432 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 M END > (Z1856585635) Z1856585635 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 -2.0045 3.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1384 2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6384 3.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 2.0865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5936 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5936 -0.4137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2686 -2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 -3.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -3.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -2.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -2.1160 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 -3.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2686 -2.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 0.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 8 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (Z2018731261) Z2018731261 $$$$ -ISIS- -- StrEd -- 26 27 0 0 0 0 0 0 0 0999 V2000 -5.9127 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0467 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0467 0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1807 -1.0818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3146 -0.5818 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8146 -1.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8146 0.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 -0.0817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5826 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1495 -0.5818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 -1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 -0.0817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 1.1206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 -0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6611 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > (Z1867027205) Z1867027205 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -1.2990 -1.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 12 18 2 0 0 0 0 M END > (Z641209084) Z641209084 $$$$ -ISIS- -- StrEd -- 20 23 0 0 0 0 0 0 0 0999 V2000 -0.7976 -3.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5578 -2.8435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1456 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5578 -1.2255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 0.0534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 -0.4466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4624 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1253 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4624 2.9315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 2.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2796 3.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1456 2.6224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1456 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2796 1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 1.6225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 12 20 1 0 0 0 0 15 20 1 0 0 0 0 M END > (Z1891239590) Z1891239590 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 0.6984 4.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 3.4431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 1.4431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 3.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 4.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 0.4434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 0.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 0.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 -1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1983 -2.0957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1983 -2.0957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 -1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0803 -3.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8893 -4.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 -3.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3896 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 M END > (Z2900721006) Z2900721006 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 2.3057 3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 2.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 0.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5424 0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 0.0842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 -1.4545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 -2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0456 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 -1.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0456 0.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1355 1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7232 2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 1.9117 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2658 2.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 1.1026 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 6 14 1 0 0 0 0 5 15 2 0 0 0 0 15 16 1 0 0 0 0 2 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 2 17 1 19 -1 M END > (Z1929785092) Z1929785092 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 3.1419 3.9908 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 3.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 4.3568 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 2.6247 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 2.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 1.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 -0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0541 -0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0541 -1.0090 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0541 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0541 -2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 -2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 -3.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -3.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1419 -4.3568 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 -2.5968 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 1.4910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 1.9909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 15 20 1 0 0 0 0 10 21 2 0 0 0 0 21 22 1 0 0 0 0 7 22 2 0 0 0 0 M END > (Z2492875600) Z2492875600 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 -0.6261 -2.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 -0.8471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1053 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5632 0.1428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 -0.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7787 -1.4141 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2194 0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4035 1.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3404 1.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9929 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 1.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 -1.8803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 -2.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1095 -2.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7438 -1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3404 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7816 -1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 16 22 1 0 0 0 0 M END > (Z1995790715) Z1995790715 $$$$ -ISIS- -- StrEd -- 21 24 0 0 0 0 0 0 0 0999 V2000 -3.0226 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2036 -1.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 -1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 -1.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0283 -2.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 -0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 0.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 1.3782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 -0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 1.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8782 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7444 2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 1.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7444 0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8782 1.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 15 20 2 0 0 0 0 20 21 1 0 0 0 0 12 21 2 0 0 0 0 M END > (Z1664539629) Z1664539629 $$$$ -ISIS- -- StrEd -- 16 17 0 0 1 0 0 0 0 0999 V2000 -0.1573 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 -1.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 -2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6574 -3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 -0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0233 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2912 0.3318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2912 1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5749 1.8318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6791 2.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 2.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4881 1.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6961 0.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 1 0 0 0 M END > (Z2298846853) Z2298846853 $$$$ -ISIS- -- StrEd -- 23 27 0 0 0 0 0 0 0 0999 V2000 0.8624 4.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 3.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6748 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8624 2.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1097 2.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 3.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4532 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 -0.3560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 -1.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 -0.6595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 -2.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5927 -4.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3919 -4.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 -2.8758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8228 -2.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4315 -3.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2784 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 -1.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 1 9 1 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 19 23 1 0 0 0 0 M END > (Z2798534239) Z2798534239 $$$$ -ISIS- -- StrEd -- 18 18 0 0 0 0 0 0 0 0999 V2000 -4.6135 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 0.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8816 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8816 -1.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 -0.3512 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5533 1.1434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5312 1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0257 0.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6135 1.1896 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4326 -0.5330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3623 -0.2579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -1.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 13 17 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > (Z1838412554) Z1838412554 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -0.4330 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 2.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -1.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 9 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > (Z2379569543) Z2379569543 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -1.3660 -2.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -2.4806 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 -2.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -1.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 -0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 0.5193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 1.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 2.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 4.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 5.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 4.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 -0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -3.4804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4431 -4.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 -5.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -5.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -4.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 7 16 1 0 0 0 0 16 17 1 0 0 0 0 4 17 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 M END > (Z2002944017) Z2002944017 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -0.2624 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 3.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 1.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1034 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1035 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 -0.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 -1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -1.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2624 -1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2624 -0.4570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -2.9572 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -3.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3965 -2.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 -2.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2274067671) Z2274067671 $$$$ -ISIS- -- StrEd -- 19 22 0 0 0 0 0 0 0 0999 V2000 -1.9226 0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 1.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 2.7206 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 2.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 1.3194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 2.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5376 3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5157 4.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 3.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3346 -0.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 -0.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 -1.5624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 -1.5624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 -3.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 -4.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3346 -4.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 2 0 0 0 0 1 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 19 1 0 0 0 0 M END > (Z1918279202) Z1918279202 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -5.0363 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4484 0.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9539 1.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 1.2444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1391 0.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7268 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7268 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 0.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4591 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0416 -0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -1.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 -1.2447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9926 -1.1349 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 6 18 2 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (Z2752850788) Z2752850788 $$$$ -ISIS- -- StrEd -- 17 17 0 0 0 0 0 0 0 0999 V2000 -3.8497 0.5440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4297 -1.9595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1205 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.7685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 -0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 0.9593 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 1.9595 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -0.0407 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 5 13 1 0 0 0 0 8 13 2 0 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > (Z2719321791) Z2719321791 > (Z2719321791) Cl $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 1.1078 5.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 4.4331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9268 3.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9212 3.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 1.1718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -1.2423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8684 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -2.7424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -3.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -5.2424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 -3.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 -2.7424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9702 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9212 1.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6612 2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 12 18 2 0 0 0 0 7 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 5 21 1 0 0 0 0 M END > (Z2761588891) Z2761588891 $$$$ -ISIS- -- StrEd -- 15 15 0 0 0 0 0 0 0 0999 V2000 0.4330 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -1.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M END > (Z359570156) Z359570156 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 3.0308 0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.6831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 0.8169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 1.3168 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5311 0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 M END > (Z1799143571) Z1799143571 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 2.8029 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -1.6371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -2.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7499 -3.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -4.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3358 -3.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7173 -1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 -0.0982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 0.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0449 0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6274 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 2.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3618 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8082 3.1377 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8029 3.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4016 4.0513 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 2 19 1 21 -1 M END > (Z1868718582) Z1868718582 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 -0.9390 -2.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3455 -1.1921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3238 -0.9842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1327 1.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2192 1.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4101 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 -0.2214 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 -1.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0442 0.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 -0.1170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 1.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 2.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 1.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2373 -0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3037 -0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (Z2775133059) Z2775133059 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 -0.1361 2.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 2.4563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1384 1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 -0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 -0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5006 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 0.1388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8484 0.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 -1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -2.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2021 -2.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4873 -2.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9316 -1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9189 -1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3632 -0.4369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 -2.1656 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 4 9 2 0 0 0 0 9 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > (Z2732439298) Z2732439298 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 1.5163 4.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5163 3.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3823 2.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 2.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 1.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 1.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.4599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 -0.3492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 -1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 -2.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 -2.9854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 -3.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7943 -3.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3823 -4.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 -2.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6133 -1.9674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 1.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 11 17 2 0 0 0 0 8 18 2 0 0 0 0 5 18 1 0 0 0 0 M END > (Z2379566996) Z2379566996 $$$$ -ISIS- -- StrEd -- 23 25 0 0 1 0 0 0 0 0999 V2000 -1.0093 3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1433 2.7419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7228 3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1433 1.7420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6658 1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 0.2033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9523 1.1543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9033 1.4633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5214 1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 2.4143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 2.4143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 -0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9391 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 -1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 -1.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 -2.2240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 -3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1258 -2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 -3.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 -1.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4567 -1.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (Z2613788629) Z2613788629 $$$$ -ISIS- -- StrEd -- 17 17 0 0 0 0 0 0 0 0999 V2000 2.2474 3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 2.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 0.8285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 1.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 -0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 0.3285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -1.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 -2.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8505 -2.2105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 -1.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0263 -3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 -2.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 -3.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > (Z1897756138) Z1897756138 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 1.1739 2.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 1.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6738 1.4097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1738 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6738 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 -1.1883 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 -1.1883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3259 -2.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 -2.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3259 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 -1.9970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 -1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1738 -2.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 -0.6881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 -0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 0.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 0.5436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 13 20 1 0 0 0 0 20 21 2 0 0 0 0 8 22 1 0 0 0 0 2 22 2 0 0 0 0 M END > (Z2094627895) Z2094627895 $$$$ -ISIS- -- StrEd -- 26 31 0 0 1 0 0 0 0 0999 V2000 2.8231 1.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8285 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 0.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 -1.1972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7407 -2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 -3.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 -3.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 -0.6095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2406 0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 -0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -1.8694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 -0.9187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 -0.3308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9162 -2.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 -3.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8297 -3.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 2.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 2.2721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3391 3.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2526 3.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9162 3.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7253 3.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8297 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 3 10 1 0 0 0 0 9 11 1 1 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 26 1 0 0 0 0 M END > (Z2766494801) Z2766494801 $$$$ -ISIS- -- StrEd -- 20 22 0 0 1 0 0 0 0 0999 V2000 2.1701 3.7487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1701 2.7487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9790 2.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6701 1.2101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2578 0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 1.2101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3611 2.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 0.4006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 -1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0932 -1.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0877 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2744 -2.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8621 -3.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8567 -3.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2632 -2.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 -2.6263 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 -1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 14 20 2 0 0 0 0 M END > (Z2754391488) Z2754391488 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 1.9491 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 3.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 2.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8919 2.3675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5828 1.4164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 1.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -0.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 -1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -2.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 -2.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 -3.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 -4.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7681 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 -1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -0.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 2.3675 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 10 17 1 0 0 0 0 17 18 2 0 0 0 0 7 19 1 0 0 0 0 4 19 1 0 0 0 0 M END > (Z2721820492) Z2721820492 $$$$ -ISIS- -- StrEd -- 19 20 0 0 1 0 0 0 0 0999 V2000 -0.3736 -1.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 -0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 -0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 -0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 1.5497 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2245 1.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 2.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 0.5496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 0.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 -0.9504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1676 -1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 -2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 -2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5495 -1.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 13 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 M END > (Z2732435049) Z2732435049 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -5.3299 1.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7423 0.9149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 0.3148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 -0.5215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 -0.5215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8812 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7473 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 -0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3299 -0.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -1.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 -1.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 M END > (Z1234251808) Z1234251808 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 1.2989 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 3 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 21 22 1 0 0 0 0 13 22 2 0 0 0 0 M END > (Z2723066945) Z2723066945 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 1.3998 0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 1.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0644 2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0644 3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 4.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -0.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4769 -0.8944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1675 -1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8322 -1.8455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 -0.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7556 -2.6546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 -3.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -4.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 -3.6056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 M END > (Z2155436190) Z2155436190 $$$$ -ISIS- -- StrEd -- 32 36 0 0 0 0 0 0 0 0999 V2000 4.4313 -1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 -2.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 -2.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.6064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -3.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 -3.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -2.0887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 -1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2757 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7241 -0.8640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4313 -0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1723 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 1.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 3.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6248 3.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 3.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 1.6631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 -3.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2757 -3.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -3.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0701 -1.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -1.1703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 -0.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 2 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 13 25 1 0 0 0 0 11 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 11 28 1 0 0 0 0 9 29 1 0 0 0 0 29 30 1 0 0 0 0 6 30 1 0 0 0 0 4 31 2 0 0 0 0 31 32 1 0 0 0 0 2 32 1 0 0 0 0 M END > (Z2234789923) Z2234789923 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -0.8812 -3.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -2.1702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -0.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -0.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 0.4095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 0.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 0.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 2.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 2.9787 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 2.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 3.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 2.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4147 -2.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 10 18 1 0 0 0 0 13 18 2 0 0 0 0 4 19 1 0 0 0 0 19 20 1 0 0 0 0 4 20 1 0 0 0 0 M END > (Z2677389801) Z2677389801 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 1.4027 0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 -0.4799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 -1.0677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 -2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9027 -2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3149 -2.8278 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5937 -1.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -0.7585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1122 0.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4964 -1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 -2.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2118 -1.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0727 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 -0.1430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0062 0.8474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6549 2.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 2.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 2.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 M END > (Z2738504426) Z2738504426 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 -3.5962 -0.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 1.0669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 -0.4331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5999 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 1.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0226 0.1607 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 5 11 2 0 0 0 0 11 12 1 0 0 0 0 2 12 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 M END > (Z2752947992) Z2752947992 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -3.0573 -0.1641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 -0.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6091 -1.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 -1.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 -2.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 -0.6123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 0.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 2.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 1.9315 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 0.6897 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4439 0.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 12 19 1 0 0 0 0 M END > (Z2000108832) Z2000108832 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 2.0785 3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0785 2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 1.8556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9907 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 -0.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4906 -1.4435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 -0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 -1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5783 -2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5786 -2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 -0.5769 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4906 -2.4434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4906 -3.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 -2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 9 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2160873186) Z2160873186 $$$$ -ISIS- -- StrEd -- 16 18 0 0 0 0 0 0 0 0999 V2000 -3.6355 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 0.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7694 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7694 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 -0.8091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 10 15 2 0 0 0 0 15 16 1 0 0 0 0 8 16 1 0 0 0 0 M END > (Z1527364936) Z1527364936 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 1.8016 1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6324 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6324 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 0.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1799 -1.5462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8489 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8436 -0.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3489 0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8436 0.8333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2015 -0.4268 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 1.4753 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 9 14 1 0 0 0 0 4 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > (Z2600428296) Z2600428296 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1651 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 3.4239 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -0.0761 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -1.6638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.6148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5207 -3.4239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -1.6638 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 3 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 12 17 1 0 0 0 0 M END > (Z111971496) Z111971496 $$$$ -ISIS- -- StrEd -- 18 19 0 0 1 0 0 0 0 0999 V2000 0.4329 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2990 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 3 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 M END > (Z1779372655) Z1779372655 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -1.3813 3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 3.3284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 0.8284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 0.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 1.8285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 -1.2594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -2.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 -2.2105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 -1.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5723 -3.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -3.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -2.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > (Z2734747123) Z2734747123 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 0.4729 1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 1.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6404 2.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -0.3815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 0.4846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 1.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -2.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 -1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -2.3353 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -2.0565 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 2 11 1 0 0 0 0 5 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 14 19 1 0 0 0 0 M END > (Z2752945346) Z2752945346 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 0.5685 -2.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -2.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0534 -2.8649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 -2.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6751 -3.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5162 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1055 -0.5913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 0.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5693 1.0139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6751 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 3.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 M END > (Z1995145997) Z1995145997 $$$$ -ISIS- -- StrEd -- 24 25 0 0 0 0 0 0 0 0999 V2000 -0.9330 5.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 2.9998 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 2.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 2.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 2.0002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 -0.0002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 -1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 -3.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -5.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 -5.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 -5.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 17 22 2 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 8 24 1 0 0 0 0 M END > (Z2036959560) Z2036959560 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -1.2851 3.0866 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 1.7205 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 3.4525 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 2.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 -1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2562 -2.5014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 -3.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0531 -3.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3619 -2.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 -2.1922 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 2 0 0 0 0 16 17 1 0 0 0 0 M END > (Z2236664321) Z2236664321 $$$$ -ISIS- -- StrEd -- 24 28 0 0 0 0 0 0 0 0999 V2000 1.0450 -2.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -2.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -3.4148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 -3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8895 -2.2556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 -1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 0.1817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4271 -0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 -1.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 1.3407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 3.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 2.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4148 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 2.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 1.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 2 0 0 0 0 2 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 2 0 0 0 0 23 24 1 0 0 0 0 12 24 2 0 0 0 0 16 24 1 0 0 0 0 M END > (Z1652286788) Z1652286788 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -2.9872 0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9928 -0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -2.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 -2.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 -1.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 -0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 -1.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 0.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 1.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 1.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 2.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 2.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 1.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 1.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4872 2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9872 1.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4872 0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 M END > (Z2456770059) Z2456770059 $$$$ -ISIS- -- StrEd -- 14 15 0 0 0 0 0 0 0 0999 V2000 -1.1339 2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 1.8273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2508 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 0.1248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 -0.8750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2214 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 -1.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7216 -2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7216 -2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 14 1 0 0 0 0 M END > (Z1271072415) Z1271072415 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -0.3449 4.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 3.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 2.6409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 1.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7432 0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3361 -0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 -0.8984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7465 -1.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6421 -0.2403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3752 -2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2887 -3.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1839 -4.0207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 -4.2288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -3.3630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 -3.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 1.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 2.6409 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 4 17 2 0 0 0 0 17 18 1 0 0 0 0 2 18 1 0 0 0 0 M END > (Z2065914318) Z2065914318 $$$$ -ISIS- -- StrEd -- 18 18 0 0 0 0 0 0 0 0999 V2000 -1.2248 2.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 2.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 1.0694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 0.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 -2.0696 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8912 -1.3622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8228 -0.8450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > (Z2732437489) Z2732437489 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 -0.8662 -3.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 -2.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 8 17 1 0 0 0 0 12 17 2 0 0 0 0 M END > (Z2195096809) Z2195096809 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 2.9038 3.7456 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 2.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8159 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.5534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -1.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 0.3979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -0.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 -2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -1.4804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2972 -1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5052 -2.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 -3.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 -0.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 3 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 12 20 1 0 0 0 0 M END > (Z1329728777) Z1329728777 $$$$ -ISIS- -- StrEd -- 21 24 0 0 0 0 0 0 0 0999 V2000 -0.7013 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2012 -0.4548 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2989 -1.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 0.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6307 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 1.2522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8597 2.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 1.5887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 0.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -0.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 -2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7991 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 -2.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3381 -1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7991 -0.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 -0.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 8 12 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 2 0 0 0 0 20 21 1 0 0 0 0 13 21 2 0 0 0 0 M END > (Z1643261564) Z1643261564 $$$$ -ISIS- -- StrEd -- 24 26 0 0 0 0 0 0 0 0999 V2000 -5.3104 0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3104 0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8102 1.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8105 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 2.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 1.0184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9517 0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -0.5637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6563 -1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5699 -0.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 -0.9258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 -1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 -2.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 16 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > (Z2100065983) Z2100065983 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 1.2028 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 2.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4629 3.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 3.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 2.0683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 -0.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 -1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -1.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -3.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2331 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 -2.8285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -2.0193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 -1.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2331 -1.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -1.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 14 22 2 0 0 0 0 M END > (Z1207941637) Z1207941637 $$$$ -ISIS- -- StrEd -- 25 27 0 0 0 0 0 0 0 0999 V2000 4.7988 0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 -1.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7988 -1.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -1.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7988 0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -1.2957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0491 -1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 0.0133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0491 0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 0.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4034 -0.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 1.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8852 0.7458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4443 1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 0.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 15 23 1 0 0 0 0 13 24 1 0 0 0 0 7 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > (Z1560829363) Z1560829363 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 -3.3662 -1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9976 -2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 -0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7719 -0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 2.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3677 0.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3673 0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8935 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 -0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 -0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5923 -1.9476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 -2.5100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 -1.8970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3136 -0.9561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 6 22 1 0 0 0 0 M END > (Z3016613407) Z3016613407 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 3.8466 4.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 3.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9806 2.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9806 1.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 0.2473 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 -0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -0.4572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3104 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6192 -2.2174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1894 -2.8051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 -2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 -1.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 -2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -3.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2588 -3.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8466 -4.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5678 -2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7586 -1.9384 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 7 21 2 0 0 0 0 4 21 1 0 0 0 0 M END > (Z2660644589) Z2660644589 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -4.5085 -0.3363 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 -0.5592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 -0.3681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 2.4409 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -1.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3196 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3277 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7346 -2.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -2.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -1.3580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 3 12 2 0 0 0 0 6 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 M END > (Z1458288320) Z1458288320 > (Z1458288320) Cl $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 1.4495 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -2.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -3.2801 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 -3.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 -4.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -3.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 -3.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 -2.2803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 -1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 -0.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 -0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6575 1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6575 2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 2.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 3.7198 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6575 4.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 4.2199 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 2 20 1 22 -1 M END > (Z2063149461) Z2063149461 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -3.4641 1.9330 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 1.4331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 10 15 2 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 18 1 0 0 0 0 M END > (Z1165944514) Z1165944514 $$$$ -ISIS- -- StrEd -- 23 26 0 0 1 0 0 0 0 0999 V2000 0.3853 -2.7715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1078 -2.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 -1.3702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4523 -1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -0.8702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4523 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 -0.3702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2694 0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -0.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 -1.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 -1.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 -1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 -0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 -0.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 0.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 1.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 2.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 2.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 20 23 1 0 0 0 0 M END > (Z2762040972) Z2762040972 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 -2.6121 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 1.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 0.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6608 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 -1.0093 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 -1.3183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 2 15 1 0 0 0 0 15 16 2 0 0 0 0 M END > (Z2752946879) Z2752946879 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -4.0592 -0.4353 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 1.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8697 0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8403 0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0592 -0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 -1.6813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 -1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4245 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 -0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2397 -1.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2104 -1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 3 17 1 0 0 0 0 12 17 2 0 0 0 0 M END > (Z2235306161) Z2235306161 > (Z2235306161) Cl $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -2.1474 3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 2.1307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 2.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 2.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 -0.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9155 -1.9082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2245 -0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6722 -2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1937 -3.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 -2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -2.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -3.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 -3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 M END > (Z2442454997) Z2442454997 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -3.8598 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8598 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 0.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 0.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 -0.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -0.7079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1907 -0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8598 -1.2351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 -2.1012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3815 -1.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 5 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 M END > (Z2752948034) Z2752948034 $$$$ -ISIS- -- StrEd -- 21 23 0 0 1 0 0 0 0 0999 V2000 -0.3833 2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4826 2.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4826 1.1936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2918 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 -0.3453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0174 -0.3453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 -1.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 -1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1181 -2.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8305 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 0.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5705 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5705 -1.1544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 -2.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -2.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 -2.6933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2614 -2.1055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 6 15 1 0 0 0 0 3 15 1 0 0 0 0 5 16 1 1 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 M END > (Z2053494147) Z2053494147 $$$$ -ISIS- -- StrEd -- 16 18 0 0 0 0 0 0 0 0999 V2000 3.1505 0.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2381 1.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4193 0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4936 0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 -0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 -1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 -1.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6238 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1505 -0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6779 0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6784 0.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 -0.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 6 15 2 0 0 0 0 10 15 1 0 0 0 0 7 16 1 0 0 0 0 4 16 1 0 0 0 0 M END > (Z57182455) Z57182455 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 1.9308 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9527 -1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6436 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3346 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 0.5794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 1.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0037 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 0.1637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9599 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9381 0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 1.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 1.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2908 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0998 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7908 -1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7909 -1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9599 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9381 0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 1.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M END > (Z2607658779) Z2607658779 $$$$ -ISIS- -- StrEd -- 22 25 0 0 1 0 0 0 0 0999 V2000 1.2846 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 -2.5262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0935 -3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -4.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -4.0651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 -3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -2.8050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2846 -3.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0935 -2.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -1.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7844 -1.8539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1968 -1.0449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 0.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 1.0712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1034 0.7346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 2.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 3.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 4.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 3.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 2.8627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 2 0 0 0 0 M END > (Z2034500991) Z2034500991 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -0.8661 3.2499 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.7499 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.2502 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 1.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 -3.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 M END > (Z1373617802) Z1373617802 $$$$ -ISIS- -- StrEd -- 23 25 0 0 1 0 0 0 0 0999 V2000 -3.0928 -2.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1078 -2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -3.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -1.4305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 -1.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5044 -1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1471 -2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8224 -2.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 -0.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 -0.1043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 0.8957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3215 1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 2.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3856 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 0.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 0.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 M END > (Z2766864301) Z2766864301 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 0.9190 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 2.1431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0017 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 0.7420 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4961 1.3807 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0839 2.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.4670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -1.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -1.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4961 -2.1602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4961 -0.5421 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 19 20 1 0 0 0 0 12 20 2 0 0 0 0 M CHG 2 9 1 11 -1 M END > (Z2000054033) Z2000054033 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 1.7194 3.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2196 1.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 1.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 2.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6317 0.3488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1773 0.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4407 -0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -0.4602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 -1.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 -2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 -2.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3072 -3.6964 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5284 -2.2997 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 -3.4752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3675 -1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2328 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 10 21 1 0 0 0 0 M END > (Z1840799442) Z1840799442 $$$$ -ISIS- -- StrEd -- 20 23 0 0 0 0 0 0 0 0999 V2000 0.0341 0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 -1.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 -1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 -2.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3498 -3.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6442 0.4264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6442 1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 1.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 2.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6442 3.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 2.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 3.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 2.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 1.5805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 1.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 12 20 1 0 0 0 0 16 20 2 0 0 0 0 M END > (Z2691708041) Z2691708041 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 1.1207 2.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 1.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 1.3795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -0.2935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9314 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 -0.7416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1559 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 0.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6042 1.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -1.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1559 -1.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2935 1.1903 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 6 16 1 0 0 0 0 2 16 2 0 0 0 0 16 17 1 0 0 0 0 M END > (Z1874211264) Z1874211264 $$$$ -ISIS- -- StrEd -- 24 26 0 0 0 0 0 0 0 0999 V2000 -1.8768 2.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0108 2.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1449 2.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0108 1.2166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7491 0.9378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 0.5778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 -0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9787 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 -1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 -0.7094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -1.7387 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5141 -2.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -1.4296 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5108 -0.3221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5108 -0.3221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7709 0.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 1.5560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 2.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 5 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 M CHG 2 13 1 15 -1 M END > (Z1679795737) Z1679795737 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 -1.3489 2.1691 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 0.8309 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 2.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 2.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 2.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 0.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 20 1 0 0 0 0 9 21 1 0 0 0 0 5 21 2 0 0 0 0 21 22 1 0 0 0 0 2 22 1 0 0 0 0 M END > (Z2504526512) Z2504526512 $$$$ -ISIS- -- StrEd -- 12 12 0 0 0 0 0 0 0 0999 V2000 1.2705 2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 0.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 0.2407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9046 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 -1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0955 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 0.2407 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 -2.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4923 -0.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 -2.1072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 M END > (Z2235776077) Z2235776077 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -2.1455 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 -0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 -0.0931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 1.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 -0.0931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7672 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -0.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 -1.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -0.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0116 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0116 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 2 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 19 1 0 0 0 0 M END > (Z2754348562) Z2754348562 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -0.7991 4.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 3.0783 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 3.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 3.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 0.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 -1.5093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 -2.4603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -2.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.5093 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 -4.0782 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 -2.6816 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 -3.8571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2212480846) Z2212480846 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 -2.5388 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0388 -1.7319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0388 -0.0002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0388 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 1.7319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 1.7319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0388 -0.0002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 19 24 2 0 0 0 0 9 25 1 0 0 0 0 4 25 2 0 0 0 0 M END > (Z1119811226) Z1119811226 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 -1.2991 -0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 2.2694 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2419 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0671 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -1.3183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 11 15 1 0 0 0 0 M END > (Z2679906867) Z2679906867 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -2.2130 -1.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -2.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 -3.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -3.9501 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8749 -1.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1032 -1.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.7169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 1.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1545 1.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4635 2.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 3.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1837 3.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 3.9501 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 2.0479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 1.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 15 22 2 0 0 0 0 M END > (Z1552411622) Z1552411622 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 2.5784 0.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9861 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2199 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 -0.7455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 -0.1027 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 0.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -0.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2518 0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2221 0.2982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7521 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 1.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 1.5376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -1.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -1.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 3 14 1 0 0 0 0 14 15 1 0 0 0 0 3 15 1 0 0 0 0 M END > (Z2677419197) Z2677419197 $$$$ -ISIS- -- StrEd -- 17 16 0 0 0 0 0 0 0 0999 V2000 -5.8944 0.0553 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 0.5887 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5824 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5824 1.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 0.0884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1494 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0155 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 0.5887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3945 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 -0.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 M END > (Z1457658828) Z1457658828 > (Z1457658828) Cl $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 -6.0592 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 0.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4613 2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 2.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4613 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 1.0486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5801 0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 -0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -0.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7502 -1.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0592 -2.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2501 -2.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4414 -2.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0857 -0.5603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -0.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 2 0 0 0 0 11 12 1 0 0 0 0 3 12 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 1 0 0 0 0 15 24 2 0 0 0 0 24 25 1 0 0 0 0 13 25 1 0 0 0 0 M END > (Z2444565064) Z2444565064 $$$$ -ISIS- -- StrEd -- 22 25 0 0 1 0 0 0 0 0999 V2000 -0.5655 -1.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0656 -0.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9345 -0.8578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 -0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4735 -0.3577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4243 -0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -0.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4243 -1.6668 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2905 -2.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 -2.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4735 -1.3575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5223 -1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9018 1.5908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 0.9218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6814 1.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2905 1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8892 2.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 6 0 0 0 3 12 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 M END > (Z2092946779) Z2092946779 $$$$ -ISIS- -- StrEd -- 23 24 0 0 0 0 0 0 0 0999 V2000 -0.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 0.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -0.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4639 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -0.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3302 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3302 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 5 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 18 23 2 0 0 0 0 M END > (Z2034477631) Z2034477631 $$$$ -ISIS- -- StrEd -- 24 27 0 0 1 0 0 0 0 0999 V2000 3.9138 0.6423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 -0.3576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7225 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4135 -1.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -1.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1045 -0.9454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1535 -0.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5148 -2.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 -2.7068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -1.9635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0626 -2.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6448 -1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 -0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8313 0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2434 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4134 1.1679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4135 1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7225 2.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9134 2.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 2.1189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 19 23 1 0 0 0 0 11 24 1 0 0 0 0 8 24 2 0 0 0 0 M END > (Z2762797143) Z2762797143 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4895 3.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 2.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4895 2.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 2.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 1.2956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -0.2431 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4018 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 -0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 -1.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 -1.7566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4895 -2.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -3.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8715 -2.7079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 -0.2431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 0.7079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 7 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 7 15 1 0 0 0 0 15 16 2 0 0 0 0 5 16 1 0 0 0 0 M END > (Z2752915930) Z2752915930 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 1.2990 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -1.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -3.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -4.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -3.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 3.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 4.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 3.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 17 22 2 0 0 0 0 22 23 1 0 0 0 0 M END > (Z2097447641) Z2097447641 $$$$ -ISIS- -- StrEd -- 14 14 0 0 0 0 0 0 0 0999 V2000 0.0928 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0928 1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9017 0.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4073 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5883 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 -1.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6674 0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 -2.0261 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 -1.8050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 -0.6294 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 M END > (Z3016357104) Z3016357104 $$$$ -ISIS- -- StrEd -- 20 23 0 0 0 0 0 0 0 0999 V2000 -0.5717 0.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3794 0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6884 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3794 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1884 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 1.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9485 0.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1884 -0.0389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1884 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 -3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 -2.8478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9485 -2.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 -1.2298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 12 20 2 0 0 0 0 M END > (Z2752947573) Z2752947573 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -2.5982 -1.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 1.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 2 12 2 0 0 0 0 6 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 13 19 1 0 0 0 0 M END > (Z2582964807) Z2582964807 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 0.3764 4.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2113 3.2981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 1.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1547 0.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1547 -0.7411 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8453 -0.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 -0.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1547 -1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 -2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 -3.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5204 -4.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 -4.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 3.2981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 14 1 0 0 0 0 4 15 1 0 0 0 0 15 16 2 0 0 0 0 2 16 1 0 0 0 0 M END > (Z1530222419) Z1530222419 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 -1.8855 -3.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 -2.6651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 -1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 -0.0671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 1.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 1.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 2.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 2.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 3.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 3.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 2.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 2.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 1.7220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 -1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -1.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 19 20 1 0 0 0 0 12 20 1 0 0 0 0 10 21 1 0 0 0 0 21 22 1 0 0 0 0 7 22 1 0 0 0 0 6 23 1 0 0 0 0 2 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > (Z2582963754) Z2582963754 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 3.0021 4.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 3.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1361 3.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1361 2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5472 1.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1869 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 0.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -0.7700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 -2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3869 -1.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -3.0661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -3.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -4.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 -4.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 -3.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0021 -2.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5472 3.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 3.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 3.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 7 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 6 23 2 0 0 0 0 23 24 1 0 0 0 0 3 24 2 0 0 0 0 M END > (Z2459523178) Z2459523178 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -0.8855 -1.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 -0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -0.8520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 -0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 0.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 -0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 -1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 -2.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 0.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 2.6121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 1.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 3 12 1 0 0 0 0 12 13 2 0 0 0 0 2 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > (Z932216826) Z932216826 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -2.5931 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6422 2.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 3.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8989 1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 1.8747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 2.8259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 2.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6702 1.8747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8611 1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8611 0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -0.2130 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -1.7130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -3.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8611 -2.7130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 -3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -2.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 -1.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8611 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 12 20 1 0 0 0 0 16 20 1 0 0 0 0 M END > (Z1918257172) Z1918257172 $$$$ -ISIS- -- StrEd -- 15 15 0 0 0 0 0 0 0 0999 V2000 -3.8226 0.5818 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 -0.9181 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0906 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 0.0819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 1.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 0.0819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8226 -0.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3224 -1.1207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 -0.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -1.5820 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 2 0 0 0 0 14 15 1 0 0 0 0 M END > (Z2012049343) Z2012049343 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 2.7247 3.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8585 3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3584 4.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 2.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 2.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 3.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 1.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 1.4544 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 0.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 -0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 -1.0845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 -0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 -1.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 -2.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 -3.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 -3.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 -4.3206 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5436 -2.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9557 -1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 14 20 2 0 0 0 0 M END > (Z2026408733) Z2026408733 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 3.7983 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 -0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9819 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 -0.7136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 -0.4044 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5872 -1.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 -0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7983 -0.4044 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5385 0.8555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5383 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 1.6646 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8128 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 1.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 1.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 4 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M END > (Z2389861800) Z2389861800 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -3.4642 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 2 8 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 12 18 2 0 0 0 0 18 19 1 0 0 0 0 9 19 1 0 0 0 0 M END > (Z2582963876) Z2582963876 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -2.4275 -3.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 -1.5169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 -0.5169 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 0.7431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7802 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0591 2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 3.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4799 3.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 3.5201 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0185 2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4799 2.2110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 -1.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 9 18 1 0 0 0 0 13 18 1 0 0 0 0 6 19 2 0 0 0 0 3 19 1 0 0 0 0 M END > (Z2582963472) Z2582963472 $$$$ -ISIS- -- StrEd -- 23 27 0 0 0 0 0 0 0 0999 V2000 3.8479 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1918 1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8663 0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 0.9780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 -0.4231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3092 1.0712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8479 1.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3092 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 2.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 2.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 -1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1016 -2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -2.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 -1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 9 17 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 18 23 2 0 0 0 0 M END > (Z1686198954) Z1686198954 $$$$ -ISIS- -- StrEd -- 24 25 0 0 0 0 0 0 0 0999 V2000 -5.6290 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0309 1.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 -0.0002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.4999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6649 -1.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 0.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -1.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 18 24 1 0 0 0 0 M END > (Z1497634213) Z1497634213 $$$$ -ISIS- -- StrEd -- 15 15 0 0 0 0 0 0 0 0999 V2000 -3.0759 -0.0305 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 -1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 -2.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 -2.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3614 -2.0321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3614 -1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 1.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 2.5320 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1322 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 9 15 2 0 0 0 0 M END > (Z2895198020) Z2895198020 > (Z2895198020) Cl $$$$ -ISIS- -- StrEd -- 23 26 0 0 1 0 0 0 0 0999 V2000 -4.2949 1.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3814 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 2.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5725 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6215 1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0335 0.6479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0336 0.6479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4665 1.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 2.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 1.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 1.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 1.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6215 -0.1611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5725 0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 -1.1122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -2.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 -2.7302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9001 -1.9213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 10 16 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 4 18 1 0 0 0 0 17 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 19 23 1 0 0 0 0 M END > (Z2761245558) Z2761245558 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 -5.1576 0.1903 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4256 0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4256 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1576 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4256 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 -0.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 -0.0002 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 13 21 2 0 0 0 0 21 22 1 0 0 0 0 M END > (Z2040110147) Z2040110147 > (Z2040110147) Cl $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -2.4179 3.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 3.7249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 4.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8355 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 3.0207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3404 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.4244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1092 -1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 -1.2334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 -2.1846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -3.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 -4.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1092 -4.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 -2.1846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6543 1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2421 2.0024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 16 1 0 0 0 0 13 17 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 7 19 2 0 0 0 0 19 20 1 0 0 0 0 4 20 2 0 0 0 0 M END > (Z2569727318) Z2569727318 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1698 1.9776 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6697 -0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6697 -0.5613 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3607 0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 0.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 0.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 -0.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9787 -0.0214 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5628 -1.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 -1.6175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 -0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 -1.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 1 0 0 0 0 15 16 2 0 0 0 0 M END > (Z2067127214) Z2067127214 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 -4.2271 -0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0194 0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6885 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1884 1.8038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 2.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 0.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 -0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 -0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8226 -1.3988 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6885 -1.8987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3225 -2.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3227 -0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 M END > (Z1198294092) Z1198294092 $$$$ -ISIS- -- StrEd -- 25 27 0 0 0 0 0 0 0 0999 V2000 -3.0949 -3.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 -2.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 -0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 -0.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6456 -1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 -0.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2112 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2112 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 1.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 2.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2112 3.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 2.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 1.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -1.1671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5772 0.5650 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9433 -0.8012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4434 -1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9433 -0.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0774 0.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 22 25 1 0 0 0 0 M END > (Z2622963552) Z2622963552 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -0.9749 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -1.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -1.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 -0.0574 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2557 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 0.1505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6515 1.9105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 2.7195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 2.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 2.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3134 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -2.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 -2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9225 -1.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 9 17 1 0 0 0 0 12 17 2 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 M END > (Z2732595823) Z2732595823 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 1.0702 5.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0702 4.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 3.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 2.6271 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 2.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 0.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7908 -0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 -0.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1984 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3794 -1.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 -2.5780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 -3.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6885 -2.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3793 -1.6271 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 -4.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 -5.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 -4.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 -4.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2614 3.5781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 5 22 2 0 0 0 0 2 22 1 0 0 0 0 M END > (Z1395809809) Z1395809809 $$$$ -ISIS- -- StrEd -- 24 26 0 0 0 0 0 0 0 0999 V2000 -4.0783 -2.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7692 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7911 -1.4612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -2.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 -1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -3.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 0.2989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 1.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 0.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 0.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 1.5677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 3.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 2.8766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5392 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 2.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0783 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0783 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 0.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 -0.2012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 2 0 0 0 0 10 24 2 0 0 0 0 7 24 1 0 0 0 0 M END > (Z2754391162) Z2754391162 $$$$ -ISIS- -- StrEd -- 18 17 0 0 0 0 0 0 0 0999 V2000 -0.1093 3.9597 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 3.9597 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6051 -3.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -3.0086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 -2.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -1.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 -0.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 -1.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -2.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -1.5406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 1.9595 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 0.9595 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 0.9595 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 6 14 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > (Z2855996290) Z2855996290 $$$$ -ISIS- -- StrEd -- 15 15 0 0 0 0 0 0 0 0999 V2000 -4.1802 -0.2310 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 -0.2798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 -0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 -1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6086 -1.2797 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 0.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 0.8436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 1.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 6 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 3 14 1 0 0 0 0 14 15 2 0 0 0 0 M END > (Z2798559898) Z2798559898 > (Z2798559898) Cl $$$$ -ISIS- -- StrEd -- 18 20 0 0 1 0 0 0 0 0999 V2000 -0.9431 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 -1.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -0.6736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4564 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 -0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 2.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 0.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 0.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 9 18 2 0 0 0 0 M END > (Z2615231332) Z2615231332 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -1.8018 3.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4929 2.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1547 3.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 2.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8018 3.5784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 0.6058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 -0.3453 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5169 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 -0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2568 -1.2964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 -2.0395 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 -2.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -2.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 3 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 M END > (Z2234665163) Z2234665163 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 0.3749 1.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2409 1.1934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 1.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 3.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2409 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7408 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 -1.3456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4319 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -0.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1532 -2.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -3.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3468 -3.6932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 -3.1055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -3.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -2.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 3 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 12 17 2 0 0 0 0 M END > (Z1845252823) Z1845252823 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 1.2244 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.3079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 1.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 -0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 -1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 -0.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 0.7148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 0.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 -0.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 2 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M END > (Z1444500389) Z1444500389 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 -0.2952 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 3.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 3.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 4.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 4.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 3.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8801 1.2475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0615 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6546 -1.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 -1.4934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -2.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -2.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 -3.4248 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 -4.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 -3.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2346 -3.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -0.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4789 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 10 21 1 0 0 0 0 M END > (Z1878657149) Z1878657149 $$$$ -ISIS- -- StrEd -- 23 26 0 0 0 0 0 0 0 0999 V2000 1.9433 -0.5004 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2743 0.2427 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2959 0.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5829 1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 2.0027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5046 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5978 -0.6428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 -2.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2071 -2.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0732 -2.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0732 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2071 -0.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5829 2.8118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 2.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 2.8118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 1.5029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 2 0 0 0 0 16 17 1 0 0 0 0 9 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 4 23 1 0 0 0 0 19 23 1 0 0 0 0 M CHG 2 1 -1 2 1 M END > (Z1281759865) Z1281759865 $$$$ -ISIS- -- StrEd -- 14 15 0 0 0 0 0 0 0 0999 V2000 -2.1234 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 1.1353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1271 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 0.0526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9031 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 0.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END > (Z2301438521) Z2301438521 $$$$ -ISIS- -- StrEd -- 27 30 0 0 0 0 0 0 0 0999 V2000 -3.0364 -2.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -2.0636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 -2.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 -2.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2584 -3.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 -4.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0287 -4.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 -3.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7488 -1.1125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -1.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7001 -0.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 -0.1613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1092 0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 2.6918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 3.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 4.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4381 4.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 4.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 4.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0364 4.5008 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 3.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 2.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4381 3.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 18 27 1 0 0 0 0 21 27 2 0 0 0 0 M END > (Z2011462290) Z2011462290 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -0.3992 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.7870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 -2.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 -2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 0.1641 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -0.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 0.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4503 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4503 2.7330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 2.4241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 2.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 2.9242 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.9241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 10 19 2 0 0 0 0 13 19 1 0 0 0 0 M END > (Z2677428002) Z2677428002 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 -0.8297 -0.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 -0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 -1.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 -2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 -3.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 -3.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -3.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 -3.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1005 -2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 -1.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 -0.2331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 2.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8934 3.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 3.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 2.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1005 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 4 12 2 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > (Z1931562434) Z1931562434 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -4.2989 -0.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 0.4897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5995 1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 -0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 1.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 -0.1028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 M END > (Z1916107227) Z1916107227 $$$$ -ISIS- -- StrEd -- 18 21 0 0 1 0 0 0 0 0999 V2000 0.5731 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7558 -1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.6438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0272 0.5993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 0.2520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2730 -0.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9665 -0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8278 -1.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9115 -1.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1343 -1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0069 0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 1.7558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5832 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 -0.0643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 3 12 1 0 0 0 0 7 12 2 0 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 M END > (Z2017192384) Z2017192384 $$$$ -ISIS- -- StrEd -- 24 27 0 0 1 0 0 0 0 0999 V2000 -1.0862 -2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 -1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 -1.6150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 -0.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 -0.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 0.9239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1252 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7128 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1252 2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 1.9241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2228 2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 1.4240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 1.4240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 0.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 2.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3652 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 1.9241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7128 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 0.6151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 7 5 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 7 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (Z2761185376) Z2761185376 $$$$ -ISIS- -- StrEd -- 19 22 0 0 0 0 0 0 0 0999 V2000 0.4334 -1.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8537 -0.4576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1628 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 1.2365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 1.6165 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1029 1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0809 1.2365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4408 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 1.6150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 2 0 0 0 0 13 14 1 0 0 0 0 2 14 1 0 0 0 0 6 14 2 0 0 0 0 4 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 M END > (Z1541777530) Z1541777530 $$$$ -ISIS- -- StrEd -- 17 17 0 0 0 0 0 0 0 0999 V2000 -1.2989 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 1.0001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -0.9999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0669 -1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 -1.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 -1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > (Z2572825255) Z2572825255 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -1.7897 3.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 1.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 1.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 1.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 -0.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -3.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -3.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 -3.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 M END > (Z2273870153) Z2273870153 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -3.5365 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5365 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 -0.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 2.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 0.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0364 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0364 -0.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5365 -0.1159 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 -1.1161 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 0.8841 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 0 0 0 0 8 20 1 0 0 0 0 M END > (Z1665375917) Z1665375917 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 -0.5336 2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 1.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 3.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 1.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 0.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 0.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 -0.8456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4767 0.1055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -1.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 -2.6056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 -3.1933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0644 -2.6056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7555 -1.6544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 M END > (Z2582966232) Z2582966232 $$$$ -ISIS- -- StrEd -- 24 30 0 0 0 0 0 0 0 0999 V2000 -0.4687 -0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1215 -0.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3952 0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5659 0.3495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2921 1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 2.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5892 -0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9426 -2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9473 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8735 -0.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4976 1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9738 0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 14 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 16 23 1 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 18 24 1 0 0 0 0 2 24 1 0 0 0 0 M END > (Z1987470244) Z1987470244 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -2.7720 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5909 -1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6019 -1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 -1.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3871 -1.4957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7939 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -0.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 0.0871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 1.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 1.3604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 2.1694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 2.9784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 2.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 3.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 -2.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 -3.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 -3.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 2 0 0 0 0 16 17 1 0 0 0 0 10 18 1 0 0 0 0 6 18 1 0 0 0 0 18 19 2 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 22 1 0 0 0 0 M END > (Z2379557631) Z2379557631 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 3.0311 2.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 2.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 0.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -2.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -2.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -1.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -2.9329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 1.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 7 18 1 0 0 0 0 3 18 2 0 0 0 0 18 19 1 0 0 0 0 M END > (Z1558634465) Z1558634465 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 -2.0746 0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -1.1682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 -1.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8325 -1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 -0.8547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 -0.0457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6569 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9092 -0.1274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8047 -1.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 -1.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1736 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7752 0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7752 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 -0.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 4 9 2 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 2 0 0 0 0 24 25 1 0 0 0 0 16 25 2 0 0 0 0 M END > (Z2326513278) Z2326513278 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 3.1355 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1355 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1355 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2693 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2693 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2693 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -2.5588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1355 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 12 21 1 0 0 0 0 16 21 2 0 0 0 0 M END > (Z2229701702) Z2229701702 $$$$ -ISIS- -- StrEd -- 23 26 0 0 0 0 0 0 0 0999 V2000 -2.5981 2.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 2.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 1.1934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -1.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -1.8456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6751 -0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -2.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 -2.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -3.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 -4.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 -3.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 M END > (Z2734746165) Z2734746165 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -0.3150 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2444 1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 2.1079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 3.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -0.0827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 -2.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -2.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 -1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 19 20 1 0 0 0 0 12 20 2 0 0 0 0 M END > (Z2163097134) Z2163097134 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 2.2631 4.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 3.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 2.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2063 0.9541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 0.0032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8972 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 0.9541 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -0.8059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 -2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 -2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2731 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 -0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -3.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0417 -4.0419 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 -2.6453 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 -3.8207 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > (Z1432017052) Z1432017052 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 0.8072 3.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 3.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 1.1894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -0.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.3107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -1.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -3.3107 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -1.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.3105 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 11 17 2 0 0 0 0 17 18 1 0 0 0 0 M END > (Z2234718387) Z2234718387 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -3.3805 0.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 1.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 2.6408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 3.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 2.6408 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 1.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 0.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2106 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 0.1762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6864 -0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6373 -1.0838 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3805 -0.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 -2.0620 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8771 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -0.7749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8771 -2.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 -3.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -3.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 9 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 19 1 0 0 0 0 M CHG 2 12 1 14 -1 M END > (Z1882925998) Z1882925998 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -3.0311 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -0.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 -0.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 8 18 2 0 0 0 0 18 19 1 0 0 0 0 5 19 2 0 0 0 0 19 20 1 0 0 0 0 2 20 2 0 0 0 0 M END > (Z2365227917) Z2365227917 $$$$ -ISIS- -- StrEd -- 28 31 0 0 1 0 0 0 0 0999 V2000 2.0180 4.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 3.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 3.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 2.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2858 1.7685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2858 0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 0.2685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2858 -1.2315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5803 -0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 -1.0403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 0.5774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5803 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 -1.9915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2525 -2.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 -3.6095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5313 -4.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5531 -4.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 -3.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6005 -3.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 -2.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6005 -1.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 1.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9313 2.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 1.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 6 14 2 0 0 0 0 10 14 1 0 0 0 0 15 11 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 1 0 0 0 4 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 M END > (Z2348073509) Z2348073509 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 2.4886 -1.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5226 -1.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -2.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 -1.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3672 -0.6108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 0.0965 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3672 0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4886 1.5382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 2.2452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8906 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 3.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 3.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 1.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5226 -2.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -3.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 -2.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 3 22 1 0 0 0 0 M END > (Z2677415953) Z2677415953 $$$$ -ISIS- -- StrEd -- 25 27 0 0 0 0 0 0 0 0999 V2000 2.4240 2.7090 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 1.8429 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 0.1107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 -0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 -1.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 -1.6213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 -2.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 -2.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 -0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 -0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 -2.4302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 -2.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 -2.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 -1.1212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3548 0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 17 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > (Z2093722240) Z2093722240 $$$$ -ISIS- -- StrEd -- 22 22 0 0 0 0 0 0 0 0999 V2000 -5.1828 0.3809 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3166 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3166 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1828 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8526 -0.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8526 0.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 4 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 17 22 2 0 0 0 0 M END > (Z2630880457) Z2630880457 $$$$ -ISIS- -- StrEd -- 17 19 0 0 1 0 0 0 0 0999 V2000 0.8327 -0.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0237 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 -0.1621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2512 -1.8256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 -2.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 -1.6566 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 1.2393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8227 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 1.7393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8227 2.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 2.2393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9943 2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8603 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8603 1.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 6 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 9 17 1 0 0 0 0 M END > (Z2752945145) Z2752945145 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 0.4913 4.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4913 3.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 3.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9912 2.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 1.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 0.6338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3533 -1.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -1.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1778 0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0477 -2.1067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 -2.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 -3.9336 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5857 -4.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7602 -4.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 -3.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 -2.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0086 2.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5966 1.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3176 3.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 12 19 1 0 0 0 0 4 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 2 22 1 0 0 0 0 M END > (Z1832163923) Z1832163923 $$$$ -ISIS- -- StrEd -- 15 17 0 0 0 0 0 0 0 0999 V2000 -0.7940 3.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 2.6506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 2.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 1.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 1.1118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 2.0627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 0.3025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -0.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -0.6483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -2.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -2.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -3.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 -2.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 12 15 1 0 0 0 0 M END > (Z2446379779) Z2446379779 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -4.1707 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3619 -0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 0.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -0.4854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1002 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8998 0.0146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 1.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 -0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 -0.7944 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 -1.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7514 -1.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3791 -1.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 9 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 8 21 1 0 0 0 0 5 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > (Z2609800100) Z2609800100 $$$$ -ISIS- -- StrEd -- 19 22 0 0 0 0 0 0 0 0999 V2000 -1.6970 -3.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1036 -2.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3605 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3605 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 -1.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 -2.9368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3605 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3605 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 3.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 3.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 1 9 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 10 19 2 0 0 0 0 14 19 1 0 0 0 0 M END > (Z2858485771) Z2858485771 $$$$ -ISIS- -- StrEd -- 21 24 0 0 0 0 0 0 0 0999 V2000 -2.1521 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -0.6360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 -1.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 -1.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -3.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -4.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -4.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -3.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 0.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 2.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1628 1.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4935 0.4573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 2.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5693 3.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2388 4.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 4.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 3.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 2 0 0 0 0 M END > (Z1944270207) Z1944270207 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 1.0550 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 0.7933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2461 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 0.5146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 -1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 -1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 -1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1423 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 1.1327 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8640 1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 1.4417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5551 -0.7455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -0.7455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -0.1545 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 1.4928 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 3 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M CHG 2 11 1 13 -1 M END > (Z1646489365) Z1646489365 $$$$ -ISIS- -- StrEd -- 25 27 0 0 0 0 0 0 0 0999 V2000 -3.6180 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 1.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 0.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3626 1.5607 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1892 2.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 0.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 1.3872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 2.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2497 1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 1.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 0.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9643 0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2911 -0.6661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 -2.5454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -2.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 -1.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 -1.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 -1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 19 20 2 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 3 25 1 0 0 0 0 M END > (Z2755085188) Z2755085188 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -3.0617 -2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7528 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7748 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -2.3827 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9827 -0.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -0.2456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 0.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 1.3725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3297 1.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3297 2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 1.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 0.0635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3297 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3297 -1.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 7 19 1 0 0 0 0 10 19 2 0 0 0 0 M END > (Z2734620004) Z2734620004 $$$$ -ISIS- -- StrEd -- 16 17 0 0 1 0 0 0 0 0999 V2000 -1.3520 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4859 1.2695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4859 2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 2.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 0.7695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -0.2305 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -0.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.8182 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -1.5093 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 15 2 0 0 0 0 15 16 1 0 0 0 0 M END > (Z2443871457) Z2443871457 $$$$ -ISIS- -- StrEd -- 21 24 0 0 0 0 0 0 0 0999 V2000 -2.9239 -0.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 -1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 -2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 -3.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2934 -3.8909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2255 -3.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4582 -2.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 -0.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 1.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 0.9530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3602 -0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 1.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 2.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 2.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7178 2.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 3.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z2438534896) Z2438534896 $$$$ -ISIS- -- StrEd -- 16 16 0 0 0 0 0 0 0 0999 V2000 -2.7529 -0.1234 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -0.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8479 -1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -0.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1275 1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 2.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 3.0431 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 1.5569 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 -2.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3479 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 -2.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 5 12 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 16 1 0 0 0 0 M END > (Z2752201099) Z2752201099 > (Z2752201099) Cl $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 1.7320 1.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 0.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 3.5195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 2.0195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -2.5682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 -3.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 -3.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -2.5682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 M END > (Z2689674499) Z2689674499 $$$$ -ISIS- -- StrEd -- 14 15 0 0 1 0 0 0 0 0999 V2000 0.7342 3.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1464 2.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 1.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.8710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8536 2.8220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 -0.2168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 -1.2166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2196 -1.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 -2.6312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5124 -3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 -1.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 10 14 1 0 0 0 0 M END > (Z2648608142) Z2648608142 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -3.2927 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9726 -2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7995 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4794 -0.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9793 0.1785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -0.4798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 2.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 2.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 2.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 2.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 0.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 0.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 13 19 2 0 0 0 0 19 20 1 0 0 0 0 10 20 1 0 0 0 0 M END > (Z2755766926) Z2755766926 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1650 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -1.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.2502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 1.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 11 17 2 0 0 0 0 M END > (Z1539188717) Z1539188717 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -2.5980 3.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.6828 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.6828 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3659 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 2.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -1.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.3169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2322 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 7 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 21 1 0 0 0 0 M END > (Z1898023058) Z1898023058 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 2.5413 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5413 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 -0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0412 -0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7812 0.5146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5857 2.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 -0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -1.1327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2893 -2.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -1.4927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 0.1544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -0.2056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3503 -0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8151 0.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 11 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > (Z1958851601) Z1958851601 $$$$ -ISIS- -- StrEd -- 15 17 0 0 0 0 0 0 0 0999 V2000 -3.3094 -1.0439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 0.5440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 0.8529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 -0.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 0.8529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5772 0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 -0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5772 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 -0.7652 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 14 15 1 0 0 0 0 7 15 1 0 0 0 0 M END > (Z1681340030) Z1681340030 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 3.0451 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 1.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 -0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -1.8650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.8650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 -2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0939 -0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0451 -0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 3 17 1 0 0 0 0 M END > (Z2832179116) Z2832179116 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 -3.6434 0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 0.9570 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 0.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2773 1.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6865 2.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 1.4570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6865 0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6865 -0.0428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 -1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6777 0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 -0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 19 22 1 0 0 0 0 12 23 1 0 0 0 0 8 23 2 0 0 0 0 23 24 1 0 0 0 0 5 24 2 0 0 0 0 M END > (Z2094626958) Z2094626958 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -2.4476 1.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2397 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3738 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3738 -0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2397 -0.7868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 -0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 -1.2869 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7245 -1.6529 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7244 0.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 12 13 2 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > (Z2830704551) Z2830704551 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 -0.3835 3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 2.0883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.0980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0663 -0.6672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 -0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1797 -1.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -2.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -1.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 -3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 1.3790 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 13 16 1 0 0 0 0 5 17 1 0 0 0 0 2 17 1 0 0 0 0 M END > (Z2313195971) Z2313195971 $$$$ -ISIS- -- StrEd -- 16 15 0 0 0 0 0 0 0 0999 V2000 -5.4699 0.0427 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 0.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4431 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 -0.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1551 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8008 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4699 -0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9697 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9916 -1.1432 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 M END > (Z1459916815) Z1459916815 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 0.3184 4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 3.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 3.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 3.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1841 1.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1841 0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 1.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -0.5567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 -1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0784 -0.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 -2.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 -2.0956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 -2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -3.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2693 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 -3.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 -1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -0.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 11 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > (Z2193993619) Z2193993619 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -1.1866 -0.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -1.0171 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -1.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 -0.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9115 2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9115 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5527 -1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8116 -2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 -2.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 5 14 1 0 0 0 0 9 14 2 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 18 1 0 0 0 0 M END > (Z2234041846) Z2234041846 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 -4.0952 -1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2381 -1.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0369 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9729 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9235 1.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 0.6964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4534 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2709 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 0.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -0.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 1.0384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 0.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -0.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -0.2123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 1.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2709 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (Z2107707135) Z2107707135 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 -0.0746 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0746 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 -1.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 -1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2554 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 -0.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5233 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5233 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 3 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 17 22 2 0 0 0 0 22 23 1 0 0 0 0 2 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > (Z2752947488) Z2752947488 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 3.5276 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5276 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4705 -0.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 -1.2627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 -1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 -2.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0086 -2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -2.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4099 -1.7584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -0.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 -1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4044 -1.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9923 -2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9867 -2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3935 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8058 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 -0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 0.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -0.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 8 23 2 0 0 0 0 5 23 1 0 0 0 0 M END > (Z1724562903) Z1724562903 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -1.2849 3.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 2.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4191 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 0.9239 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 -0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4191 -0.5761 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4191 -1.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3901 -2.1637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 -3.1149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -3.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 -3.9238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -2.1637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4191 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 8 18 1 0 0 0 0 3 18 2 0 0 0 0 M END > (Z2157922965) Z2157922965 $$$$ -ISIS- -- StrEd -- 16 18 0 0 0 0 0 0 0 0999 V2000 -3.2869 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4779 0.8508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 -0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4779 -0.1492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0609 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 -0.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5998 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5998 0.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1386 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 -0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 -1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 -1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 1.1597 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 10 16 1 0 0 0 0 7 16 1 0 0 0 0 M END > (Z2358597032) Z2358597032 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 3.6503 2.1462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0762 -0.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 -1.7962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2108 -1.2473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 -0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8007 -1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -2.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 -2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 -1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3477 -0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6992 -0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 -1.3182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 -0.0122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -1.4083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 4 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M END > (Z2356927764) Z2356927764 $$$$ -ISIS- -- StrEd -- 21 25 0 0 0 0 0 0 0 0999 V2000 0.6353 1.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 1.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 2.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 1.8171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 -1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 -1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9627 -2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 -2.4921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 -1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 -0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 -1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9627 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 3 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 20 2 0 0 0 0 20 21 1 0 0 0 0 13 21 2 0 0 0 0 M END > (Z2958944747) Z2958944747 $$$$ -ISIS- -- StrEd -- 22 24 0 0 1 0 0 0 0 0999 V2000 -0.6694 3.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 2.5978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 3.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 1.5979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0058 1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 0.0590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3031 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 1.0100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5633 1.3190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1814 1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8722 2.2700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 2.2700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2847 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0935 -0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8723 -1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8722 -1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 -2.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 -3.0979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 -2.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6123 -2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (Z2761746103) Z2761746103 $$$$ -ISIS- -- StrEd -- 16 16 0 0 0 0 0 0 0 0999 V2000 1.0929 3.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 3.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 -0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 -1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1391 -2.3649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 -3.1738 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 0.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 2.5399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 8 13 1 0 0 0 0 4 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M END > (Z2161405500) Z2161405500 $$$$ -ISIS- -- StrEd -- 15 15 0 0 0 0 0 0 0 0999 V2000 -3.8971 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -0.4999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 2 0 0 0 0 11 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M END > (Z1708154090) Z1708154090 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 -2.9825 -1.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 -1.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5341 -2.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 -1.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -2.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 -3.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -3.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 -3.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 -1.6937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3967 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 1.4209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 3.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 3.6672 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2964 3.8151 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 2.2609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9948 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 0.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5407 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 12 22 1 0 0 0 0 M END > (Z1444776309) Z1444776309 $$$$ -ISIS- -- StrEd -- 28 32 0 0 0 0 0 0 0 0999 V2000 1.6083 0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1083 1.0342 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 0.5342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6237 -0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 -0.4658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6237 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 -0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 -2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9385 -3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9385 -3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4385 -2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9385 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9385 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 -0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 10 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 22 27 2 0 0 0 0 27 28 1 0 0 0 0 19 28 2 0 0 0 0 M END > (Z274405496) Z274405496 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -2.0156 3.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2065 1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 0.8056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 1.7565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 -0.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0668 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 -0.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 -1.6217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 -0.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8354 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -3.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8301 -2.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 -2.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 -3.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7254 -1.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > (Z1862656145) Z1862656145 $$$$ -ISIS- -- StrEd -- 28 32 0 0 0 0 0 0 0 0999 V2000 -2.0181 -1.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7095 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 -0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -1.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 -1.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -1.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 -0.5973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6802 0.5615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9892 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 2.2556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 2.6357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2762 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9234 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6142 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9671 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9671 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 1.1851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9234 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2762 2.6715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 21 22 1 0 0 0 0 10 22 2 0 0 0 0 14 22 1 0 0 0 0 12 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 23 28 2 0 0 0 0 M END > (Z2157440965) Z2157440965 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 1.2245 3.9571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 -0.0430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 -0.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -3.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5075 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 1.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 1.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 2.6597 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 9 13 1 0 0 0 0 5 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 20 21 2 0 0 0 0 14 22 1 0 0 0 0 2 22 2 0 0 0 0 M END > (Z2379491926) Z2379491926 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 -1.6488 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 -0.7913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 -0.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 -1.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 -1.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -1.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 -1.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1487 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 1.1575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 1.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 0.9882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 13 17 1 0 0 0 0 M END > (Z2045817559) Z2045817559 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -1.6211 0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -0.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1108 0.4238 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1108 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 1.9239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 3.4239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1108 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9769 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 3.4239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9769 1.9239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 -1.6638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 -2.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2551 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5642 -1.6638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 4 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 12 17 1 0 0 0 0 M END > (Z1913715850) Z1913715850 $$$$ -ISIS- -- StrEd -- 14 14 0 0 0 0 0 0 0 0999 V2000 -1.3661 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 -1.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 M END > (Z1614342761) Z1614342761 $$$$ -ISIS- -- StrEd -- 28 31 0 0 0 0 0 0 0 0999 V2000 2.9999 -2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.8974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 -1.8974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 -3.6296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -3.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -4.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 -2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -3.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 -3.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 -1.0316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.0316 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0348 -0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 1.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5914 3.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7086 3.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6738 4.4955 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1395 2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 1.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -0.9710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8131 0.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 4 16 1 0 0 0 0 17 16 1 4 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 19 25 2 0 0 0 0 16 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > (Z2491074678) Z2491074678 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 0.4330 2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 2.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -2.9571 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 8 14 2 0 0 0 0 6 15 1 0 0 0 0 4 15 1 0 0 0 0 M END > (Z2832179216) Z2832179216 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 2.7398 2.7694 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7398 1.7694 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6057 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 -0.2307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 -1.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0848 -1.8182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 -2.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 -2.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5334 -1.8182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4843 -1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6922 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6057 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5012 0.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0232 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 1.7694 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 7 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 4 22 2 0 0 0 0 M CHG 2 1 -1 2 1 M END > (Z397724654) Z397724654 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -3.1307 0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 -1.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4572 1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1307 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4572 0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6307 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6307 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6307 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4236 -1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4236 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 16 19 1 0 0 0 0 M END > (Z1870431684) Z1870431684 $$$$ -ISIS- -- StrEd -- 23 26 0 0 0 0 0 0 0 0999 V2000 -4.5500 -2.6070 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2411 -1.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8289 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2411 -0.0377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2901 -0.3468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2901 -1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 1.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 0.7411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 -0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5577 -0.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5577 1.6070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 1.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 2.4161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 2.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 2.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 2.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 1.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 1.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 0.7980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 2 0 0 0 0 22 23 1 0 0 0 0 15 23 1 0 0 0 0 M END > (Z2170953783) Z2170953783 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 3.5151 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 -1.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5151 -2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -2.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -1.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -0.8555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 -0.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 -1.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 0.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 1.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 0.9239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -1.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7855 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 11 17 1 0 0 0 0 6 18 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > (Z2798533674) Z2798533674 $$$$ -ISIS- -- StrEd -- 32 35 0 0 0 0 0 0 0 0999 V2000 -6.0534 -2.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -2.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4712 -2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6521 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 -1.0066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1574 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 -0.1672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3522 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 -1.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -1.3427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 -1.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1964 -2.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 0.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2478 1.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 0.6016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 2.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 1.9104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6137 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1138 1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6138 2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6138 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1138 0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 -0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -0.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 0.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3351 -0.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 2 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 18 31 1 0 0 0 0 31 32 2 0 0 0 0 M END > (Z1902257726) Z1902257726 $$$$ -ISIS- -- StrEd -- 21 24 0 0 1 0 0 0 0 0999 V2000 2.0576 3.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 2.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 1.1936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4308 0.2801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0184 -0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 -0.5291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3275 -1.4804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 -1.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -3.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 -3.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0184 -3.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2498 2.0023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6564 2.9159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7448 1.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 1.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3275 2.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 2.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 2 16 1 0 0 0 0 15 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z2768619813) Z2768619813 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 0.7310 0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 -0.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -1.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5968 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5968 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 -2.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3673 -2.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 -2.3285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -1.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3673 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 -0.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 2 0 0 0 0 17 18 1 0 0 0 0 10 18 2 0 0 0 0 M END > (Z2351488305) Z2351488305 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -3.3144 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 2.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7323 2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2323 3.2842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 3.0764 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1496 2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 0.5818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 -0.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 -1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 -0.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 -3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 -3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0631 1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 0.6968 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 17 1 0 0 0 0 6 18 2 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (Z2732700160) Z2732700160 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -0.9075 4.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3807 3.4257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0916 4.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1456 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1452 2.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1994 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 1.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3266 1.6945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9721 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7338 -0.0405 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4555 -0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2174 -1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 -2.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7008 -3.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -4.3380 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6721 -3.6053 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 -3.1285 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 1.3089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8246 2.3062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 2.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 12 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 2 23 1 0 0 0 0 11 23 1 0 0 0 0 M END > (Z1954992586) Z1954992586 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -2.5221 1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1041 -0.0656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 -1.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 -0.7349 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 -1.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -1.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -1.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3672 0.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7252 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 8 13 1 0 0 0 0 4 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2732434826) Z2732434826 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -0.8661 4.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 3.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 1.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.0785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -2.0093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 -2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 -2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 -2.0093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 -3.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 -4.5785 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 -3.1818 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 -4.3572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2014391452) Z2014391452 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 1.7023 -0.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 0.2501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 -2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 -2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 -2.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 -1.7498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 -0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 1.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 2.2501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 2 0 0 0 0 13 14 1 0 0 0 0 6 14 2 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 M END > (Z2752949362) Z2752949362 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 3.1573 2.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 1.5718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 2.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7095 -1.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9002 -2.3149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 -1.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 -2.0361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2971 -1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0891 -0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1382 0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4004 -0.7759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 11 19 2 0 0 0 0 8 19 1 0 0 0 0 M END > (Z2274907709) Z2274907709 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 -4.4347 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8367 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 0.4546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 0.4546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 -0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 -0.7522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -1.9547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9566 -1.7469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 16 1 0 0 0 0 M END > (Z1688699484) Z1688699484 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -4.7631 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0309 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -0.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0309 0.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 7 19 2 0 0 0 0 19 20 1 0 0 0 0 3 20 1 0 0 0 0 M END > (Z1955536230) Z1955536230 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 -1.7022 0.9745 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1538 -0.3230 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5782 0.7723 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 -0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 -3.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 -2.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 -2.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5907 -0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5907 0.0321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5907 1.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7927 2.9253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 3.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 2.1393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 14 22 1 0 0 0 0 M END > (Z1796315436) Z1796315436 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -0.9472 2.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 1.2185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 0.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8097 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 0.2672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 -1.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -2.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 -3.2822 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 -3.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 -4.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1403 -3.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 1.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0382 1.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 2.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 3.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7511 4.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 4.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 3.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 2.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 1 0 0 0 0 6 16 1 0 0 0 0 2 16 1 0 0 0 0 16 17 2 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 M END > (Z1679816460) Z1679816460 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 -2.5810 0.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2721 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8598 2.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2721 2.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 1.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 0.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.0683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -2.0683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3816 1.0139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3598 1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8598 0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 -0.3874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3987 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 11 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 9 24 1 0 0 0 0 2 24 1 0 0 0 0 5 24 2 0 0 0 0 M END > (Z2700539553) Z2700539553 $$$$ -ISIS- -- StrEd -- 25 26 0 0 0 0 0 0 0 0999 V2000 -1.7321 4.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 3.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 2.1328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 2.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4643 1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 3.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 2.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 0.1331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.3672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2323 -1.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 0.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -1.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -2.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -3.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -3.8670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2408 -4.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9555 -4.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 2 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 18 25 1 0 0 0 0 M END > (Z2034748516) Z2034748516 $$$$ -ISIS- -- StrEd -- 23 26 0 0 0 0 0 0 0 0999 V2000 -1.7342 3.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 3.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0296 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0077 2.4364 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 0.6896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 -0.8105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -2.3105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3466 -2.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 -1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3466 -0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 -0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -2.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 -2.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 -3.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -3.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -3.3104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 9 17 2 0 0 0 0 11 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 18 23 2 0 0 0 0 M END > (Z2017202970) Z2017202970 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -2.0019 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0623 -0.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2963 -0.8174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4096 -2.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 -2.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7963 -3.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 -3.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0621 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 -2.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8886 -0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8886 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1139 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 3.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 2.2389 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 M END > (Z1614641522) Z1614641522 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 -1.2990 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.1893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -1.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -2.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -2.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -1.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.3105 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1402 1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 2.6035 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1402 3.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 3.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 4 9 2 0 0 0 0 9 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 11 16 1 0 0 0 0 M END > (Z2752917653) Z2752917653 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 0.4232 -0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5722 0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2541 1.0852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 -0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3111 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 -1.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6202 -1.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 -2.7626 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 2.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8931 1.7476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5277 0.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 0.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 5 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 2 15 1 0 0 0 0 15 16 2 0 0 0 0 M END > (Z1844269652) Z1844269652 $$$$ -ISIS- -- StrEd -- 21 23 0 0 1 0 0 0 0 0999 V2000 -0.2124 3.5319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9195 2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 3.5319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 2.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9195 1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9195 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -0.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -1.0896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 -1.5898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7260 -1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 -1.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8953 -2.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -2.5841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1741 -3.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -2.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5861 -3.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3952 -2.9441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 -1.9932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0863 -1.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 2.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 2 0 0 0 0 5 21 1 0 0 0 0 2 21 1 0 0 0 0 M END > (Z2766025185) Z2766025185 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -2.5981 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -0.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 8 16 1 0 0 0 0 6 17 2 0 0 0 0 17 18 1 0 0 0 0 3 18 2 0 0 0 0 M END > (Z2015257040) Z2015257040 $$$$ -ISIS- -- StrEd -- 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5469 -4.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9538 -3.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -3.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6751 -2.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 -2.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -3.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.3808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 3.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 3.8807 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7320 4.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 3.3807 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 13 22 2 0 0 0 0 17 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 2 23 1 25 -1 M END > (Z1994421127) Z1994421127 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -1.8130 3.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 3.5012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5528 4.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 4.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 3.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 3.1922 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 2.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 1.4135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -0.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -1.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -1.5865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -1.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -0.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -2.5865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -2.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -2.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3132 -4.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 -4.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 21 1 0 0 0 0 M END > (Z1764988848) Z1764988848 $$$$ -ISIS- -- StrEd -- 15 16 0 0 1 0 0 0 0 0999 V2000 -0.7996 2.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6656 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5317 2.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6656 0.5476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4747 -0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1655 -0.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 -0.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8567 -0.0401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0945 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 -0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5317 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 -1.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 -1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 M END > (Z2256726202) Z2256726202 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -0.3912 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1088 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9747 -1.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9747 -0.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9747 1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 1.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 3.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 2.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7571 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7571 -3.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6233 -3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 -3.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -3.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6233 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 6 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 2 0 0 0 0 2 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 17 23 2 0 0 0 0 M END > (Z2139055372) Z2139055372 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -2.6545 -0.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7035 -1.0095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3946 -0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 -1.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4436 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5564 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 -1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0564 -0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0564 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0564 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9224 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7884 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7884 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9224 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 10 19 2 0 0 0 0 14 19 1 0 0 0 0 M END > (Z57191261) Z57191261 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 3.2855 -2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 -1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 -1.0184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 -0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 1.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 -0.0238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 -1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 0.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 1.6786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9064 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1632 2.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 1.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 -0.3602 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 2 0 0 0 0 4 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 2 20 1 0 0 0 0 M END > (Z1497997508) Z1497997508 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -0.9626 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0477 -3.8089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0477 -2.1911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 11 19 2 0 0 0 0 15 19 1 0 0 0 0 M END > (Z2368503700) Z2368503700 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 2.9345 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 0.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5685 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 0.1969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 1.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7025 -0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 -1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5297 -1.8030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 -1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 -1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 -2.5630 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 -0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 0.0060 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5297 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 9 18 2 0 0 0 0 M END > (Z2677421556) Z2677421556 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -0.0105 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7216 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4536 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 1.2444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5361 1.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0362 0.5862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 -0.1569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 -0.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 -1.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4593 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7899 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 -0.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 -1.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9536 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 M END > (Z2798192469) Z2798192469 $$$$ -ISIS- -- StrEd -- 23 26 0 0 0 0 0 0 0 0999 V2000 -4.1487 1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4967 2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 2.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 2.5210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 1.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 1.3919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1121 -0.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 0.2627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9788 -1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9697 -1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1487 -2.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 -2.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6442 -1.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3569 -2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0266 -1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8218 -1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 0.8190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 6 22 2 0 0 0 0 22 23 1 0 0 0 0 3 23 2 0 0 0 0 M END > (Z2037199918) Z2037199918 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 -1.4591 3.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 2.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 1.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 1.6605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3271 1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9696 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2553 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 -0.8718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4937 -1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4937 -2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 -3.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9938 -3.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2704 2.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2553 1.9057 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 3.0642 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 1.0944 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 5 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 17 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > (Z2379567620) Z2379567620 $$$$ -ISIS- -- StrEd -- 26 30 0 0 0 0 0 0 0 0999 V2000 4.1620 3.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 2.4685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 0.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 -0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9492 -1.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 -1.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 -1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 -2.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7486 -3.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 -2.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -3.0865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1535 -2.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -1.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8531 -0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 -1.7776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7486 -1.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5741 2.4685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 17 22 2 0 0 0 0 16 23 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 10 24 2 0 0 0 0 4 25 1 0 0 0 0 25 26 2 0 0 0 0 2 26 1 0 0 0 0 M END > (Z2682987401) Z2682987401 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 2.6725 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3342 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8124 -0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -1.7492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 -1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -2.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1943 -0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 -0.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0353 0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9156 0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5337 0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8124 2.5581 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 1.7492 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 11 16 1 0 0 0 0 M END > (Z2677920436) Z2677920436 $$$$ -ISIS- -- StrEd -- 14 15 0 0 0 0 0 0 0 0999 V2000 1.7023 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5685 -1.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 -1.5590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 0.0589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 4 14 2 0 0 0 0 9 14 1 0 0 0 0 M END > (Z2065788154) Z2065788154 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 2.8746 1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 0.7882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6837 0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 -0.7506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0658 0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 0.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 -0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -1.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 -1.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 -0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 0.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1011 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 -1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5793 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6837 -0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7702 -0.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 8 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 M END > (Z1686453445) Z1686453445 $$$$ -ISIS- -- StrEd -- 24 27 0 0 1 0 0 0 0 0999 V2000 0.3783 -3.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 -2.7073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3287 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 -1.2929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3783 -0.2931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 0.2069 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 1.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3534 0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0855 0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0855 1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 3.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3534 3.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 3.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 2.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3534 1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0855 -2.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 -2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 -2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 9 18 2 0 0 0 0 13 18 1 0 0 0 0 4 19 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 M END > (Z2762018048) Z2762018048 $$$$ -ISIS- -- StrEd -- 18 21 0 0 0 0 0 0 0 0999 V2000 0.2779 -0.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 1.1388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 -2.0611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4564 -2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -1.2820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6015 -1.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 -2.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 2.4034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 9 8 1 1 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 7 11 1 0 0 0 0 3 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 2 18 1 0 0 0 0 14 18 2 0 0 0 0 M END > (Z2720403198) Z2720403198 $$$$ -ISIS- -- StrEd -- 23 26 0 0 1 0 0 0 0 0999 V2000 -4.0452 -3.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 -2.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 -2.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -1.0159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.4282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -1.9669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 -0.7069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6940 0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 0.2442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0031 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 -1.2946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1941 -2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 -3.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -3.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2818 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 1.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 2.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 2.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 3.4803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8642 1.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2764 0.9486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 9 7 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 16 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 17 23 2 0 0 0 0 M END > (Z2762033834) Z2762033834 $$$$ -ISIS- -- StrEd -- 24 26 0 0 0 0 0 0 0 0999 V2000 -3.0312 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 0.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 1.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.2501 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7992 -0.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -0.2501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -2.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 -2.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 17 23 2 0 0 0 0 23 24 1 0 0 0 0 M END > (Z2145721602) Z2145721602 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -2.4091 0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4309 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1218 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.0549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4829 -1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 -2.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 -1.3640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0153 -1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4381 -0.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 0.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 -0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 1.0549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 2.3639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 2.6730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 1.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 4 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 14 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z2060769483) Z2060769483 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 1.3125 4.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7248 3.4247 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 4.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 2.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5438 1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0439 0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -0.0202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -1.7804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 -2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 -1.7804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -0.8291 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 -3.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -4.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -4.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 16 1 0 0 0 0 M END > (Z1576645127) Z1576645127 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -2.1651 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4329 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -0.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 1.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8971 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 8 14 2 0 0 0 0 5 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 2 18 1 20 -1 M END > (Z1957185301) Z1957185301 $$$$ -ISIS- -- StrEd -- 19 20 0 0 1 0 0 0 0 0999 V2000 -0.4329 4.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 3.5001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4331 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2991 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -3.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -4.5001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -4.5001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M END > (Z1507438328) Z1507438328 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -0.3150 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2444 1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 2.1079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 3.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -0.0827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 -2.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -2.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 -1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 19 20 1 0 0 0 0 12 20 2 0 0 0 0 M END > (Z1872824510) Z1872824510 $$$$ -ISIS- -- StrEd -- 21 21 0 0 0 0 0 0 0 0999 V2000 -5.7427 0.2599 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0282 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 -0.8661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 0.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4719 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 -0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 0.0571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 13 21 1 0 0 0 0 M END > (Z1450364399) Z1450364399 > (Z1450364399) Cl $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 2.5685 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5685 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5685 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 -0.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 -2.3090 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 -1.4999 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 -0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 7 16 2 0 0 0 0 11 16 1 0 0 0 0 M END > (Z2433245993) Z2433245993 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 1.4668 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2687 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 0.9704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 2.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3248 2.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 2.3272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0658 1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3431 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 1.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -2.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2402 -2.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -2.1607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 -1.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 M END > (Z2814064167) Z2814064167 $$$$ -ISIS- -- StrEd -- 22 25 0 0 1 0 0 0 0 0999 V2000 -0.4123 -2.3284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -1.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -0.5684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 1.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4510 0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 1.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 2.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5490 2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 1.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 0.6535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 -0.2127 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 7 5 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 15 20 2 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 7 22 1 0 0 0 0 M END > (Z2785876841) Z2785876841 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -2.2963 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6056 0.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1274 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 -2.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 -2.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7453 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 1.1539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6092 1.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 0.0713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1121 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 2.1062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 2.0018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7508 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 -1.4654 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 -0.3665 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 -0.5754 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 8 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > (Z2752947406) Z2752947406 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 3.8681 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8681 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 -0.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 -1.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 -1.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 -2.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 0.2450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7193 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 -0.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4264 0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8681 1.4279 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 2.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 1.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3789 2.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1384 1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 6 18 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > (Z1769571880) Z1769571880 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -2.3581 -0.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3922 -0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 -1.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0572 1.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 2.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 2.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3363 2.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1421 0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -0.3604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -0.3604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 0.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 -0.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -1.3604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -2.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -2.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 M END > (Z1738801821) Z1738801821 $$$$ -ISIS- -- StrEd -- 24 25 0 0 0 0 0 0 0 0999 V2000 3.8972 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 3.4332 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 2.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6651 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 1.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -1.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -1.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -2.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -2.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -1.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -3.5669 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5311 -2.2009 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 -3.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 15 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M END > (Z2003564003) Z2003564003 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 2.2108 3.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 1.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 1.1056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8448 0.1543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8449 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 1.1056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 -0.6546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5660 -1.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -2.1932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2430 -3.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 -1.6056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0031 -1.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 -2.8927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 8 15 1 0 0 0 0 M END > (Z2900167065) Z2900167065 $$$$ -ISIS- -- StrEd -- 28 30 0 0 0 0 0 0 0 0999 V2000 -5.5445 0.1480 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -3.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -3.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3837 -3.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3837 -2.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5177 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5177 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 0.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9465 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9465 2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9465 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 0.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6785 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 0.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6785 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9465 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 22 27 2 0 0 0 0 27 28 1 0 0 0 0 13 28 2 0 0 0 0 M END > (Z48950971) Z48950971 > (Z48950971) Cl $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -1.7600 1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.3649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.3649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 3.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1740 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 18 1 0 0 0 0 12 18 1 0 0 0 0 M END > (Z2069623223) Z2069623223 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -0.0747 0.9182 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6572 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5233 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 -1.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5233 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6572 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 -1.0818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 0.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6728 -0.5818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 -0.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2554 -0.2454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7554 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 1.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 2 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 20 21 2 0 0 0 0 M END > (Z193227064) Z193227064 $$$$ -ISIS- -- StrEd -- 24 28 0 0 0 0 0 0 0 0999 V2000 0.5577 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 -0.9646 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 -1.7735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -1.4645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2901 0.1231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2411 -0.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8288 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2411 1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2901 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 -0.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4778 1.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 0.7104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8288 0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8288 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 -1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -0.9077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 6 12 1 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 15 1 0 0 0 0 1 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 18 23 2 0 0 0 0 23 24 1 0 0 0 0 16 24 1 0 0 0 0 M END > (Z231451472) Z231451472 $$$$ -ISIS- -- StrEd -- 17 17 0 0 0 0 0 0 0 0999 V2000 -2.2474 3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 2.8285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 2.3285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8813 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8814 3.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 1.8284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 -1.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 -2.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1492 -2.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4585 -1.2593 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 -3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6293 -3.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 -2.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > (Z2068874127) Z2068874127 $$$$ -ISIS- -- StrEd -- 17 17 0 0 0 0 0 0 0 0999 V2000 -3.9552 -0.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 3.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 2.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9552 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9552 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 -0.9999 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 8 17 1 0 0 0 0 3 17 2 0 0 0 0 M END > (Z2832013570) Z2832013570 > (Z2832013570) Cl $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -0.6211 -0.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 -0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -1.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 -3.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -3.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 -2.3199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -4.0798 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7922 -4.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -3.9753 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2448 0.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 1.2680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 0.8614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 1.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7256 2.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 3.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0888 3.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 4.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 4.9935 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6106 4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 2 0 0 0 0 M CHG 2 9 1 11 -1 M END > (Z1917998822) Z1917998822 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 3.3963 2.0634 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5303 1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5303 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7407 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 -0.6964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 -1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7272 -2.0634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 -1.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0874 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1091 -0.1614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 2 0 0 0 0 9 10 1 0 0 0 0 2 10 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 M END > (Z815786900) Z815786900 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -1.1983 4.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 3.6933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 3.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3321 3.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 3.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3321 2.1935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3321 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3321 -0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -1.3945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1678 -2.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -2.3457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1412 -1.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 -4.1056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2557 -4.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -4.1056 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z1891102769) Z1891102769 $$$$ -ISIS- -- StrEd -- 24 27 0 0 1 0 0 0 0 0999 V2000 0.5444 -1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 -0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 -1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0429 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -1.4662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7371 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5291 0.1811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3702 1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8349 -0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 0.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 0.7914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 1.2915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1495 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 0.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 0.2913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2472 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 -1.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 -1.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 4 10 2 0 0 0 0 10 11 1 0 0 0 0 2 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 14 21 1 0 0 0 0 20 22 1 6 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M END > (Z1983855637) Z1983855637 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 3.1175 3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6176 2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1175 1.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 1.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 1.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 2.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 2.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9834 -0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 -0.1163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 -1.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 -2.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 -3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0786 -2.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -2.9253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6176 -2.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0786 -1.6163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 -1.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 17 25 2 0 0 0 0 M END > (Z1401018486) Z1401018486 $$$$ -ISIS- -- StrEd -- 18 18 0 0 0 0 0 0 0 0999 V2000 -0.4925 1.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 0.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2244 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9566 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 -1.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 0.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9566 -0.8565 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 -1.9699 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 M END > (Z1538285477) Z1538285477 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 1.4909 -0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 -0.7224 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 -0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3569 -2.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3569 -3.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -4.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 -4.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 0.2774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.7775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2885 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 1.1138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 1.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 1.7720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2635 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 3.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 4.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 3.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9577 2.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 2.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 8 1 0 0 0 0 2 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 15 20 2 0 0 0 0 M END > (Z2700101584) Z2700101584 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -1.9594 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 -0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6807 -1.0632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1809 -0.1972 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5115 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 0.6391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 -0.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5115 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1809 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6807 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 M END > (Z2732435390) Z2732435390 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 -0.8585 4.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 3.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8584 3.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 3.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 2.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 -1.0302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 -2.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 -2.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 -3.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 -3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 -4.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 -4.0304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -3.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 -4.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -2.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7245 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7245 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 11 20 1 0 0 0 0 8 21 2 0 0 0 0 21 22 1 0 0 0 0 5 22 2 0 0 0 0 M END > (Z2158770487) Z2158770487 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 1.8277 -1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 -0.7301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 -1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9046 -2.8181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 -3.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 -3.7691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -2.8181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 -2.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 -3.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3585 -2.8689 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -4.1563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1527 0.8575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4617 1.8085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4617 1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 0.8575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 2.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 3.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 4.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3585 3.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 2.6176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 2 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 2 0 0 0 0 M END > (Z2093030983) Z2093030983 $$$$ -ISIS- -- StrEd -- 21 24 0 0 0 0 0 0 0 0999 V2000 1.1937 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2153 -1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -2.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5717 -3.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 -2.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6544 -1.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7411 -1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 -0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4538 -0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 0.5751 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 0.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 0.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1644 1.5263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 2.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1644 3.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 2.8351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 3.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 2.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 1.5263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 1.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 2 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 14 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z2754350376) Z2754350376 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 0.9339 3.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 2.6451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 1.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9009 0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1235 1.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 2.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 3.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.5460 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 10 16 2 0 0 0 0 M END > (Z2615302191) Z2615302191 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -3.0311 2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 1.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -2.2499 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 1.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -1.2501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -1.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 3 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 M END > (Z2417926498) Z2417926498 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -2.0905 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8224 -0.3987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6884 0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8224 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 0.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 -1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 0.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1058 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0193 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6884 -0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2103 -1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 M END > (Z1653430114) Z1653430114 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 1.3652 -0.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 -0.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4423 -1.9212 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 -2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 -2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1757 -1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 -1.6122 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4855 0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 2.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 2.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 2 0 0 0 0 8 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 10 17 1 0 0 0 0 M END > (Z2018854322) Z2018854322 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 -2.5532 2.3365 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2945 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2604 1.1118 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 1.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 0.6635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5284 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5284 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 -2.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 -0.8365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 7 17 1 0 0 0 0 M END > (Z2234732094) Z2234732094 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 1.3962 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 3.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 0.4871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5415 -0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 -0.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -1.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8433 -1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9476 -2.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -2.8444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6349 -2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -3.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5693 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -4.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0818 3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 9 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 14 16 1 6 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 6 19 1 0 0 0 0 2 19 1 0 0 0 0 M END > (Z2352627211) Z2352627211 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -4.9730 1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4731 0.6013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4729 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8851 1.4102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -0.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 -0.7352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4785 -1.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -1.3934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8851 -0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 9 18 2 0 0 0 0 18 19 1 0 0 0 0 6 19 2 0 0 0 0 19 20 1 0 0 0 0 4 20 1 0 0 0 0 M END > (Z2146578412) Z2146578412 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -4.8898 -0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -0.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8716 -1.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 -0.0026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 1.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 1.3063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 1.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0894 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0894 -0.0026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -0.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 0.7946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 0.8990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.6837 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2206 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8898 0.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 -1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 11 21 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 4 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > (Z2703792878) Z2703792878 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 3.2386 3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 2.9056 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 3.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8726 2.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 2.4055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 1.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 0.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 -0.0944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2254 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2254 -1.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0915 -2.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -3.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -3.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 -3.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2386 -2.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8732 -1.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 0.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 13 19 1 0 0 0 0 10 20 1 0 0 0 0 6 20 1 0 0 0 0 M END > (Z2040076457) Z2040076457 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 1.9597 4.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 3.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 3.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 2.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 2.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 0.6719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3979 -1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 -1.7423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 -2.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5569 -3.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 -3.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 -4.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -4.7423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9073 -4.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 -4.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9073 -3.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -2.7422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 2.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 14 20 2 0 0 0 0 7 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 5 23 1 0 0 0 0 M END > (Z2764278778) Z2764278778 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -3.9099 1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 0.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4381 0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 0.8529 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 1.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3148 1.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 0.0868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 0.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9099 0.7815 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 -0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5983 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 -1.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2715 -1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 11 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (Z2683054984) Z2683054984 $$$$ -ISIS- -- StrEd -- 23 27 0 0 0 0 0 0 0 0999 V2000 2.1277 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 0.0235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 -0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2866 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 1.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6116 2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 -0.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2866 -1.4766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2866 -2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 -2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5545 -2.4766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3965 -2.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 -1.9764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3965 -1.1676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5545 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 4 9 2 0 0 0 0 3 10 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 2 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 15 23 1 0 0 0 0 19 23 1 0 0 0 0 M END > (Z2347813336) Z2347813336 $$$$ -ISIS- -- StrEd -- 16 18 0 0 0 0 0 0 0 0999 V2000 2.0784 0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0784 -0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 -1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5784 -2.2795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 -1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -1.0193 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 -0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 -0.0683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5784 0.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 0.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8874 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 2.2795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 1.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 M END > (Z1945710574) Z1945710574 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -4.0702 -0.3241 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 1.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 0.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4141 1.2447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 0.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9661 -0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 -1.1694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 -1.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 -1.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 -0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0394 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 -1.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4988 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 3 18 1 0 0 0 0 13 18 2 0 0 0 0 M END > (Z2855995071) Z2855995071 > (Z2855995071) Cl $$$$ -ISIS- -- StrEd -- 17 17 0 0 0 0 0 0 0 0999 V2000 2.3748 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 0.8661 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 -0.8661 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > (Z1940348514) Z1940348514 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1561 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -0.2241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9312 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6383 -1.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9312 -2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6383 -3.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 0.4831 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2241 -0.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2241 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0347 2.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6724 2.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 2.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 3.3114 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 2 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 12 18 2 0 0 0 0 M END > (Z1675747574) Z1675747574 $$$$ -ISIS- -- StrEd -- 23 26 0 0 0 0 0 0 0 0999 V2000 0.0720 0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -1.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -3.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -2.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 -2.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -2.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 -1.2106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -1.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 2.0683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 3.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5719 3.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8809 2.0683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 0.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4559 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5049 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 3 11 1 0 0 0 0 7 11 1 0 0 0 0 1 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 M END > (Z1878396014) Z1878396014 $$$$ -ISIS- -- StrEd -- 21 22 0 0 1 0 0 0 0 0999 V2000 2.4208 2.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 1.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 1.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 0.1483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3638 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0549 -1.3905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0548 -1.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 -0.4394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2053 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9484 -0.7995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 -0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6426 -1.1597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 0.8477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5722 2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 3.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 -2.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 -3.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 9 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 6 20 1 6 0 0 0 20 21 1 0 0 0 0 M END > (Z2784626788) Z2784626788 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -2.2954 2.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8941 1.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0857 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2196 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -1.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 0.3217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1215 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9876 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9876 1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 0.3217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5857 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5857 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 -2.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0856 -2.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 21 1 0 0 0 0 17 22 1 0 0 0 0 13 22 1 0 0 0 0 M END > (Z2607822785) Z2607822785 $$$$ -ISIS- -- StrEd -- 19 19 0 0 0 0 0 0 0 0999 V2000 -5.2556 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3894 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3894 -0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5237 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 0.2201 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7915 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8067 0.2201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 1.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 0.2201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 -0.7801 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2556 -0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6129 -1.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 -0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 12 19 1 0 0 0 0 M END > (Z1518291730) Z1518291730 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -2.2380 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0472 0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -0.4080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.5430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 0.3909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 -0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 -1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7374 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -1.4457 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 -1.2172 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3203 -1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -2.1308 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 4 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 2 19 1 21 -1 M END > (Z1966371796) Z1966371796 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 0.9712 3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 2.9683 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 3.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4781 2.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 2.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3391 0.3321 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9267 -0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9266 -0.4769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -1.4282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -3.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9266 -3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9267 -3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 -1.4282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 -1.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5413 -2.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4925 -3.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 -2.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0278 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 14 1 0 0 0 0 11 15 1 0 0 0 0 8 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 M END > (Z28821857) Z28821857 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 1.7857 3.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6047 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0166 0.5539 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3256 -0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 -0.9848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 -0.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 0.5539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 -1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 -3.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 -2.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2034 2.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3844 1.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 1.6766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 2.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 3.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2034 3.2946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 4 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 9 12 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 M END > (Z2569001838) Z2569001838 $$$$ -ISIS- -- StrEd -- 17 18 0 0 1 0 0 0 0 0999 V2000 0.7888 3.8047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2113 2.8047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 2.8047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2887 0.2659 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 -0.5431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1023 -1.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 -2.2661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1709 -3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -3.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7889 -3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 -2.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 10 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 8 17 2 0 0 0 0 5 17 1 0 0 0 0 M END > (Z2732434935) Z2732434935 $$$$ -ISIS- -- StrEd -- 19 20 0 0 1 0 0 0 0 0999 V2000 -5.1664 -0.0165 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4521 -1.0439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 -0.4559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6432 0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 0.0439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 -0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 0.0439 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -0.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8954 0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 0.5441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3004 1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1664 0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1664 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3004 -0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -0.7650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 11 19 1 0 0 0 0 M END > (Z2040107355) Z2040107355 > (Z2040107355) Cl $$$$ -ISIS- -- StrEd -- 15 16 0 0 1 0 0 0 0 0999 V2000 -3.5686 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5685 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5685 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5686 -0.3659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7024 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7024 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -1.3660 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 -1.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 8 14 2 0 0 0 0 14 15 1 0 0 0 0 6 15 1 0 0 0 0 M END > (Z1994079583) Z1994079583 $$$$ -ISIS- -- StrEd -- 26 30 0 0 0 0 0 0 0 0999 V2000 -3.5998 1.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 2.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 3.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0368 3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 2.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 3.6740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 3.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3924 2.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 1.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8408 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5477 -0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 -1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 -1.3725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1251 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 -2.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9017 -2.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7715 -3.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 -3.7527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -2.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 -3.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 -2.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -3.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 -3.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -3.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 2.0759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 18 25 1 0 0 0 0 8 26 2 0 0 0 0 5 26 1 0 0 0 0 M END > (Z2595916067) Z2595916067 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 -0.8660 3.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -3.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 2 0 0 0 0 M END > (Z2216303109) Z2216303109 $$$$ -ISIS- -- StrEd -- 18 19 0 0 1 0 0 0 0 0999 V2000 -2.2545 1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 1.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 -0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5796 0.8934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 1.2026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8395 2.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8396 2.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 0.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3397 -0.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 -2.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 -1.3448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 -0.3938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1486 -0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 1 0 0 0 4 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > (Z2164029550) Z2164029550 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -1.6497 2.0781 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7834 2.5783 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7834 3.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 2.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 2.5783 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 1.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 0.5782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 1.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7834 0.5782 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7834 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 -1.0094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 -1.9606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2837 -1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -1.0094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8715 -2.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4591 -3.5784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6804 -2.1817 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0624 -3.3573 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M CHG 2 1 -1 2 1 M END > (Z1765530888) Z1765530888 $$$$ -ISIS- -- StrEd -- 25 26 0 0 0 0 0 0 0 0999 V2000 -1.2991 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 2.5001 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 2.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 2.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -3.5001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -3.5001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 0.0001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 -3.0001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 17 24 2 0 0 0 0 24 25 1 0 0 0 0 M END > (Z2024262583) Z2024262583 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -4.7633 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 0.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.2501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 1.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 1.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -0.2501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7633 -1.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 10 20 2 0 0 0 0 14 20 1 0 0 0 0 M END > (Z1537118586) Z1537118586 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -3.8793 -1.8539 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 -1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 -2.0349 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8613 -0.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1976 1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 1.0255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 0.2284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 1.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 1.5374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 1.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5728 2.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 1.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8793 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5728 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 10 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > (Z196935164) Z196935164 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 -2.7684 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8173 -0.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 2.3953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 2.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4695 3.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8003 2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 0.6926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 -0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -1.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 -2.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 -3.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5364 -3.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 -2.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 0.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 -0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M END > (Z2607715907) Z2607715907 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -3.5179 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6279 -2.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -0.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5288 -1.4732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 0.3632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 2.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 0.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 -2.1313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 -2.3393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 9 18 1 0 0 0 0 7 19 1 0 0 0 0 19 20 2 0 0 0 0 5 20 1 0 0 0 0 M END > (Z2210421105) Z2210421105 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 -1.2990 -2.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 7 12 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M END > (Z2687203858) Z2687203858 $$$$ -ISIS- -- StrEd -- 26 28 0 0 0 0 0 0 0 0999 V2000 -2.1651 -2.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 0.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7632 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7632 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6292 0.7499 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 20 26 2 0 0 0 0 M END > (Z323348536) Z323348536 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 -4.9276 -0.2378 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 0.8334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.3107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4989 0.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -0.1543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 -1.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 0.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9957 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 0.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 0.4835 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 -1.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 -0.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 M END > (Z1470315045) Z1470315045 > (Z1470315045) Cl $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -0.5000 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 3.0193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 3.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 1.5193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -0.4804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -1.4807 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -2.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1751 -3.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -3.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 M END > (Z2068651351) Z2068651351 $$$$ -ISIS- -- StrEd -- 24 28 0 0 0 0 0 0 0 0999 V2000 -0.2689 -3.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0402 -2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -2.1316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -0.9726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3274 -1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3274 -1.7157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 -2.6668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8274 -3.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 -2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9891 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6364 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 1.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 3.0166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 3.8258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 3.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 3.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 2.5168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 2 10 2 0 0 0 0 6 10 1 0 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 17 24 1 0 0 0 0 20 24 1 0 0 0 0 M END > (Z2582964725) Z2582964725 $$$$ -ISIS- -- StrEd -- 24 26 0 0 0 0 0 0 0 0999 V2000 2.5684 -5.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 -4.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -4.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 -3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 -3.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5685 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5684 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 -2.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 -0.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8955 1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8955 2.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 4.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 5.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 2.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 1.0002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 17 22 2 0 0 0 0 22 23 1 0 0 0 0 14 23 2 0 0 0 0 11 24 1 0 0 0 0 3 24 2 0 0 0 0 M END > (Z2179788751) Z2179788751 $$$$ -ISIS- -- StrEd -- 22 26 0 0 0 0 0 0 0 0999 V2000 -1.9502 1.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6711 -0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 -1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 -0.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0193 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0137 0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4258 1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 -0.5007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0356 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0356 -1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 -0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3306 0.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 0.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 -1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 -1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 -1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3306 -1.3098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 9 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 21 22 1 0 0 0 0 14 22 1 0 0 0 0 M END > (Z1444343833) Z1444343833 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1546 2.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 2.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 2.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 1.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 0.6446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 -0.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 -1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 -0.3064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2007 -1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7938 -1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 -0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 -0.3530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -2.7323 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4795 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 0.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 8 16 1 0 0 0 0 4 16 1 0 0 0 0 16 17 2 0 0 0 0 M END > (Z2752947610) Z2752947610 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -1.7214 -2.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -3.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -5.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -5.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -2.7036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 -1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -1.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5001 -0.5874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9122 0.2216 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7214 0.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 -0.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6755 1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9844 1.9815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 2.5694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 4.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 5.0694 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 3.5695 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 1.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 -2.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -3.1101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 13 21 2 0 0 0 0 8 22 1 0 0 0 0 22 23 2 0 0 0 0 6 23 1 0 0 0 0 M END > (Z2042350999) Z2042350999 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 0.3720 1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 0.6361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 1.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0035 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 -1.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 -1.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 -1.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 -0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7853 0.5127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 2 16 1 0 0 0 0 10 16 2 0 0 0 0 M END > (Z2050042768) Z2050042768 $$$$ -ISIS- -- StrEd -- 21 24 0 0 0 0 0 0 0 0999 V2000 3.5468 3.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 2.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 1.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6564 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7165 -0.0607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4554 -0.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 -1.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1632 -0.5430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -1.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 -2.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5468 -3.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6348 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 -3.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 -2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5523 -0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 1.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 2.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 14 17 1 0 0 0 0 9 18 1 0 0 0 0 18 19 1 0 0 0 0 6 19 1 0 0 0 0 4 20 2 0 0 0 0 20 21 1 0 0 0 0 2 21 1 0 0 0 0 M END > (Z2161480256) Z2161480256 $$$$ -ISIS- -- StrEd -- 22 26 0 0 0 0 0 0 0 0999 V2000 -1.4478 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 0.0162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -1.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8342 -1.9621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 -2.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 -3.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 -1.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 1.1751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 2.8693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 2.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2492 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 2.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 2.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4563 2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 1 9 1 0 0 0 0 4 9 2 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 21 22 1 0 0 0 0 10 22 2 0 0 0 0 14 22 1 0 0 0 0 M END > (Z2409663794) Z2409663794 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 2.2941 2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 0.9522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 0.0010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7941 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2063 -0.8079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2119 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 -0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2882 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 1.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 -1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 -2.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 0.9522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 5 16 2 0 0 0 0 2 16 1 0 0 0 0 M END > (Z2607198919) Z2607198919 $$$$ -ISIS- -- StrEd -- 21 24 0 0 0 0 0 0 0 0999 V2000 -3.0309 1.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 1.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 0.4142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4576 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -1.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4576 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -3.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 3.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 3.4141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 3.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 1.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 1.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 7 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 14 20 2 0 0 0 0 20 21 1 0 0 0 0 11 21 2 0 0 0 0 M END > (Z2088368370) Z2088368370 $$$$ -ISIS- -- StrEd -- 20 20 0 0 0 0 0 0 0 0999 V2000 -3.1562 0.1450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1561 -0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 -0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1562 -0.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 1.1169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 2.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 2.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2186 3.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 3.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 2.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 -1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -1.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -2.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 -3.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -2.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -1.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 7 14 1 0 0 0 0 3 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 15 20 2 0 0 0 0 M END > (Z1895538621) Z1895538621 > (Z1895538621) Cl $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -0.3662 4.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 3.2499 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 3.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 3.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 2.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 0.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 -0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 -1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 -2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -2.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 -4.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 -2.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 8 17 1 0 0 0 0 17 18 1 0 0 0 0 5 18 1 0 0 0 0 M END > (Z2447244072) Z2447244072 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -1.3997 3.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 2.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 3.4433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 2.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 3.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 1.4434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 1.9433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 0.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -1.0955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4203 -1.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -1.0955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4766 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 -1.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4463 -2.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 -3.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -2.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 -1.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 2 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 14 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 16 20 1 0 0 0 0 M END > (Z2771140305) Z2771140305 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -4.5162 -1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6026 -1.4769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 0.1109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8425 0.4199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 -0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 -0.3891 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2453 0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 1.2858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7839 0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6502 1.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5162 0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5162 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6502 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7839 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 -0.3321 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8425 -1.1983 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 2 0 0 0 0 16 17 1 0 0 0 0 9 17 1 0 0 0 0 6 18 1 0 0 0 0 3 18 1 0 0 0 0 M END > (Z92639185) Z92639185 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 1.9973 3.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 3.4433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 2.4433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 2.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1314 2.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 1.4433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 -0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 -0.6445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2348 -1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5437 -0.6445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8224 -2.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 -3.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 -3.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 -3.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8226 -2.4046 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 8 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 M END > (Z2068778377) Z2068778377 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -2.3884 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3993 -0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 0.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6894 0.9919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6894 1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 2.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 2.3008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4374 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4374 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5708 -0.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -1.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -2.5796 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 -1.6895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 -1.4805 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > (Z2193988150) Z2193988150 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 0.9881 -4.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -3.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -2.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 -1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 -2.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 0.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 0.6585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 3.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4879 3.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 4.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 3.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 14 21 1 0 0 0 0 M END > (Z2591171871) Z2591171871 $$$$ -ISIS- -- StrEd -- 21 23 0 0 1 0 0 0 0 0999 V2000 0.2501 0.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9821 0.5817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9821 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 2.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 3.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4308 2.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7617 1.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 -0.9181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6160 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -1.7841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2501 -2.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 -3.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1159 -1.7841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9821 -2.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 -2.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4308 -1.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 -0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9526 -0.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 10 2 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z1894980900) Z1894980900 $$$$ -ISIS- -- StrEd -- 26 30 0 0 0 0 0 0 0 0999 V2000 -2.5298 2.4320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5303 2.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 3.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 3.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0036 1.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0486 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 -0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 -1.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 -1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5769 -0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 -1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 -1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -0.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0502 -0.0867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8444 -1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8132 -2.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 -3.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5446 -2.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5755 -1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7258 -1.3765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 10 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 8 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 21 26 2 0 0 0 0 M END > (Z2379096077) Z2379096077 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 -5.0246 0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 0.7074 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 -0.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 1.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0355 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5575 1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 0.4754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.4754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 -0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0114 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 -0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7036 0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 -0.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5246 -1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -1.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 15 21 1 0 0 0 0 M END > (Z2000177339) Z2000177339 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -3.7927 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7929 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 1.3090 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 1.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 0.6634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 -0.2026 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 0.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 -0.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -1.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 2 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 4 16 2 0 0 0 0 16 17 1 0 0 0 0 2 17 2 0 0 0 0 17 18 1 0 0 0 0 M END > (Z2752948014) Z2752948014 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -1.6525 -1.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 -1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 1.9572 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 1.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 2.9571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 -0.0429 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4455 -0.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 0.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -1.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -2.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 3 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 18 1 0 0 0 0 M END > (Z2443144544) Z2443144544 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 2.0329 2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0329 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8419 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5329 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -1.7172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 -2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 -2.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 -1.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 -1.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4506 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.0616 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 10 16 1 0 0 0 0 8 17 1 0 0 0 0 5 17 1 0 0 0 0 M END > (Z1562449738) Z1562449738 $$$$ -ISIS- -- StrEd -- 16 16 0 0 0 0 0 0 0 0999 V2000 -4.1930 -0.2522 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 0.7976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8045 0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 -0.1503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4498 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 -1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 -1.1283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3399 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -0.7412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5045 -0.7412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8134 0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 0.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 6 0 0 0 4 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 3 15 1 0 0 0 0 15 16 2 0 0 0 0 M END > (Z2894089723) Z2894089723 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 4.9739 0.5655 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1649 -0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 -1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4605 -1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2514 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5289 0.2032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 -0.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1937 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 1.0169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 1.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9716 -0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5595 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2665 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9739 0.3359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2665 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9716 1.1448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5109 1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 13 20 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 8 22 1 0 0 0 0 M END > (Z2605355119) Z2605355119 $$$$ -ISIS- -- StrEd -- 14 14 0 0 0 0 0 0 0 0999 V2000 1.4099 2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5438 1.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 1.4908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 0.4909 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 -0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 -1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1778 -2.0480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4099 -2.8569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 -1.0968 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 9 14 1 0 0 0 0 M END > (Z2684297440) Z2684297440 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 2.9241 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 1.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 2.5263 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 1.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 0.0319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 -1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -1.9681 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1237 -2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 -2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3851 -1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3851 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 -0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6452 0.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9241 -0.9680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 -1.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6452 -2.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 1.1248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 2 0 0 0 0 2 20 1 0 0 0 0 M END > (Z1650064369) Z1650064369 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 -0.2373 -2.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 -1.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 -1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8853 -0.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7809 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -0.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 1.6487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 2.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 2.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 2.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 0.7825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 0.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6354 1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6354 1.6487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 2.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 2.5145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 19 25 2 0 0 0 0 M END > (Z2758573818) Z2758573818 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 -0.5568 -2.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 -1.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2624 -1.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1491 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6281 2.2911 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0357 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 -0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 -1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0566 -1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2624 -0.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 0.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M END > (Z2218554926) Z2218554926 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 3.8946 -1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 1.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3346 1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 -0.7966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6054 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 -1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -1.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 -1.6056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 -0.7966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 0.0126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 -0.2966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 13 22 1 0 0 0 0 M END > (Z2373779846) Z2373779846 $$$$ -ISIS- -- StrEd -- 26 30 0 0 1 0 0 0 0 0999 V2000 -3.2468 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 2.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 2.3091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 0.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0146 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7057 2.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 2.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3237 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -0.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7057 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -1.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 -1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 -3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -3.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 -2.8479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 -2.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 -1.2299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 -1.5387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 16 26 1 0 0 0 0 22 26 1 0 0 0 0 M END > (Z2761217313) Z2761217313 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -2.9555 -2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 -1.1622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2343 -0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2345 -0.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8296 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 -0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8296 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 -0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9026 0.6471 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -0.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4025 1.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 1.1469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7345 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 0.0221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7345 -0.8438 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 2 11 1 0 0 0 0 6 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END > (Z2740613331) Z2740613331 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 2.5948 1.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 -0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 0.2158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1148 -0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8533 0.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 1.6467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 -0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 -0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 3 15 1 0 0 0 0 M END > (Z2193865575) Z2193865575 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 0.5286 -3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 0.3715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7096 1.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7096 2.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 3.1486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 2.3396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 2.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 0.6641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1064 2.0608 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 0.4428 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 -0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -0.5795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 -1.8885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 4 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 2 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z2590303862) Z2590303862 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 -3.9640 -1.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -1.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.0671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 0.4329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 -1.0671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -1.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 6 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 15 1 0 0 0 0 M END > (Z1882978986) Z1882978986 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 4.2255 1.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 -0.2447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 -0.4084 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7418 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7528 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 1.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -0.1538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 -1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -1.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 -2.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2255 -2.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 -0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2796 2.1780 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 12 18 2 0 0 0 0 18 19 1 0 0 0 0 8 19 1 0 0 0 0 5 20 2 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (Z2091973728) Z2091973728 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 1.2991 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 -1.8661 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6652 -0.1339 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > (Z1896597696) Z1896597696 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 1.9251 2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9251 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 0.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 -0.1082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 0.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 -0.9172 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0283 -0.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 -1.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3329 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 -2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 -0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 -0.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 M END > (Z1934925091) Z1934925091 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -3.9983 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6561 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3404 -1.7909 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7902 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7902 1.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9241 0.0884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0581 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1922 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5399 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5104 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 1.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 0.8203 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 0.1819 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 15 20 1 0 0 0 0 M END > (Z2077425263) Z2077425263 $$$$ -ISIS- -- StrEd -- 22 22 0 0 0 0 0 0 0 0999 V2000 0.0881 3.4026 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 3.4026 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 -3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 -2.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 -3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -1.1954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3811 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3811 0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0332 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 -0.6954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3810 -0.1076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 -1.6955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3810 -2.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -2.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 16 22 1 0 0 0 0 M END > (Z2941655532) Z2941655532 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 0.0104 -1.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0104 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 -0.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5876 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5876 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -0.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 -0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 -0.6307 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -1.3933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 M END > (Z1516513938) Z1516513938 $$$$ -ISIS- -- StrEd -- 24 26 0 0 0 0 0 0 0 0999 V2000 2.3455 -1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 -1.8431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 -2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 -1.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1546 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 -1.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 -1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 -0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 -0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -0.1109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 0.7550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 0.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 1.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 1.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 1.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 1.1211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 M END > (Z2599847942) Z2599847942 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -1.9852 -3.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -3.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -2.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -0.7070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 -1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 0.4839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 2.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 3.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 2.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9852 -1.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9852 -2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 -2.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 -2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 17 1 0 0 0 0 7 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 3 21 1 0 0 0 0 6 21 2 0 0 0 0 M END > (Z2348213646) Z2348213646 $$$$ -ISIS- -- StrEd -- 22 25 0 0 0 0 0 0 0 0999 V2000 -2.4066 2.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0822 2.0264 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0764 1.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 2.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 1.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 0.4277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 -0.3911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 -1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 -2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0773 -2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0778 -2.1535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 -2.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4935 -2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 2 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 10 22 1 0 0 0 0 18 22 1 0 0 0 0 M END > (Z2379571560) Z2379571560 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 2.3799 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 1.4432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 0.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8798 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8802 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 1.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2923 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6013 -1.8554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 -2.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -1.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 -2.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7106 -1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 -0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2923 -0.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 13 17 1 0 0 0 0 11 18 2 0 0 0 0 8 18 1 0 0 0 0 M END > (Z2798534301) Z2798534301 $$$$ -ISIS- -- StrEd -- 23 24 0 0 0 0 0 0 0 0999 V2000 0.4331 4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 3.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 2.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -3.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -3.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -3.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -3.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 2.7501 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4328 3.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 3 0 0 0 0 6 19 2 0 0 0 0 19 20 1 0 0 0 0 3 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 2 21 1 23 -1 M END > (Z1730233828) Z1730233828 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -3.7939 1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 2.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 0.6489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 2.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 2.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 1.4852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7939 2.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 0.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 -1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 -0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 8 14 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 M END > (Z1699994457) Z1699994457 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 -2.3926 -2.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7527 -0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 -0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 2.4596 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8867 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 1.4595 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8867 -0.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 -0.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 5 15 1 0 0 0 0 8 15 2 0 0 0 0 M END > (Z2865657284) Z2865657284 $$$$ -ISIS- -- StrEd -- 10 10 0 0 0 0 0 0 0 0999 V2000 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 M END > (Z2235812602) Z2235812602 $$$$ -ISIS- -- StrEd -- 20 23 0 0 0 0 0 0 0 0999 V2000 0.8881 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 -1.2648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0732 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 -2.2699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 -1.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3864 -2.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 -2.5074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 -1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0626 -1.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 -2.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 -0.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 1.2481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 2.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 1.9207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 19 20 1 0 0 0 0 12 20 2 0 0 0 0 M END > (Z2677387943) Z2677387943 $$$$ -ISIS- -- StrEd -- 25 27 0 0 1 0 0 0 0 0999 V2000 -0.2768 4.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4302 3.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 2.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 2.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 0.8528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 -0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7445 -0.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -0.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -1.6472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8785 -2.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 -3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -3.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -4.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 -3.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 -2.1473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7196 -1.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 -1.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -2.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 2.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 3.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 3.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 2.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 22 25 1 0 0 0 0 M END > (Z2617083336) Z2617083336 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -0.1147 4.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 3.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 2.9193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 1.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5665 0.2456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 -0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 -1.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -1.5815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 -2.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6482 -2.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -3.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -3.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 -2.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 -3.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -4.5072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2099 -4.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6145 1.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 2.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 3.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 14 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 2 22 2 0 0 0 0 22 23 1 0 0 0 0 M END > (Z2606563427) Z2606563427 $$$$ -ISIS- -- StrEd -- 28 32 0 0 0 0 0 0 0 0999 V2000 0.5649 1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 1.1916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2186 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 -1.6275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9177 -2.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8789 -2.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 -3.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9743 -4.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 -3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 3.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 4.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9071 4.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 3.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 1.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5091 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 2.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 1.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5091 2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 23 27 2 0 0 0 0 27 28 1 0 0 0 0 20 28 2 0 0 0 0 M END > (Z2504575930) Z2504575930 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -3.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 0.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 2.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 18 19 1 0 0 0 0 10 19 2 0 0 0 0 5 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 3 22 2 0 0 0 0 M END > (Z1955208644) Z1955208644 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 2.6755 -2.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0878 -2.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 -2.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7787 -1.1702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1724 -0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3803 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2939 0.5235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 1.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 1.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 0.8601 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6755 2.8565 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 2.9304 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 1.4442 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -0.5825 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 -1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 4 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 2 18 1 0 0 0 0 M END > (Z2365285119) Z2365285119 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -3.5574 -1.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 -1.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 -2.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 -0.7913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5574 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 -1.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 0.0747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9427 0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5359 1.8544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 2.5234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 2.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 2.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 1.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 -0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8143 -0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 20 1 0 0 0 0 M END > (Z335305786) Z335305786 $$$$ -ISIS- -- StrEd -- 22 25 0 0 1 0 0 0 0 0999 V2000 1.1830 3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 0.9571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3901 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 -0.4571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3169 -1.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -2.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2811 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2811 -1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0241 -1.2880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6175 -0.3744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -0.4791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5241 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0241 0.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5241 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 8 16 1 0 0 0 0 12 16 1 0 0 0 0 6 17 1 0 0 0 0 4 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 M END > (Z2761768014) Z2761768014 $$$$ -ISIS- -- StrEd -- 29 33 0 0 0 0 0 0 0 0999 V2000 -4.7631 -0.9998 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.9998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4328 -0.9998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -1.9998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4328 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 -2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 -3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 2.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 2.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 2 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 18 23 2 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 24 29 2 0 0 0 0 M END > (Z2039275131) Z2039275131 $$$$ -ISIS- -- StrEd -- 15 16 0 0 0 0 0 0 0 0999 V2000 0.9306 2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7394 0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 -0.0037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4307 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1572 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2496 -1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3327 -2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 -1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1215 0.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 1.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 2.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5726 0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 5 12 1 0 0 0 0 2 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M END > (Z2941655502) Z2941655502 $$$$ -ISIS- -- StrEd -- 16 16 0 0 0 0 0 0 0 0999 V2000 -3.4920 -0.3372 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 0.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 0.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7268 -0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2514 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -1.9021 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9206 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6757 1.9021 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1829 -1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 -1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -0.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 5 11 2 0 0 0 0 11 12 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 16 1 0 0 0 0 M END > (Z3018667948) Z3018667948 > (Z3018667948) Cl $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 1.6112 5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 4.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 3.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 4.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 1.9478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 0.9967 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2452 0.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 0.1877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 -0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 -1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 -2.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 -2.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9659 -3.6510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 -4.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1556 -5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -3.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 -3.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 1.9478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 8 19 2 0 0 0 0 5 19 1 0 0 0 0 M END > (Z2010636808) Z2010636808 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 1.3578 2.9136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 3.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 4.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 2.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 3.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 1.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 0.3211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1359 0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1359 1.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 -0.6790 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 -0.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 -0.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 -1.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 -3.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 -3.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 -4.0267 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -2.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 14 19 1 0 0 0 0 M END > (Z2034711045) Z2034711045 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -1.5406 -2.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2316 -1.9357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 -1.1267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2316 -0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5855 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5855 0.8734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3074 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 2.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6872 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8897 1.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0237 2.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 -0.6266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 -1.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5855 -2.1266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -1.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 1 0 0 0 0 6 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 2 19 1 0 0 0 0 5 19 2 0 0 0 0 M END > (Z2682987212) Z2682987212 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 -3.0311 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 0.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 1.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 4 13 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M END > (Z1829551272) Z1829551272 $$$$ -ISIS- -- StrEd -- 16 18 0 0 0 0 0 0 0 0999 V2000 3.3570 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3627 0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -0.2387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8844 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1412 1.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8626 1.3705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8184 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 -1.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 -0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8184 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 2 0 0 0 0 15 16 1 0 0 0 0 8 16 2 0 0 0 0 M END > (Z2174817805) Z2174817805 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 2.0676 3.9387 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2015 3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 4.3046 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 2.5726 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3355 2.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7473 1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 2.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 3.3454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 0.8227 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 0.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5608 -0.0909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 -1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 -2.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 -1.8509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 -3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -4.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -4.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 14 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 21 1 0 0 0 0 M END > (Z1913257023) Z1913257023 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 2.5684 2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 2.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 2.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9807 2.7969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5685 1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5684 1.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9807 1.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 -0.4108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 -1.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.9934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1421 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 -1.4934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 13 18 2 0 0 0 0 M END > (Z2169350941) Z2169350941 $$$$ -ISIS- -- StrEd -- 21 22 0 0 0 0 0 0 0 0999 V2000 -0.8373 4.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 3.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7034 3.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 3.2696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 2.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 1.2696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 -0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 -0.7305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 -1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -2.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 -2.2308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 -4.7695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -4.7695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0859 -3.8184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z2058229166) Z2058229166 $$$$ -ISIS- -- StrEd -- 24 26 0 0 1 0 0 0 0 0999 V2000 0.0714 2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 1.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 0.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6039 0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -0.6582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2948 -0.6582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1139 -2.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9566 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.4966 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 -0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4598 -0.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3008 0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8825 -1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4758 -2.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -1.3627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5464 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4598 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3551 -0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 5 18 1 6 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 1 0 0 0 0 M END > (Z2055221434) Z2055221434 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -2.0993 -0.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 -0.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4718 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 -1.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 -2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4718 -3.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3378 -2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3378 -1.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.3227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1298 2.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 2.4964 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 2.9152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 1.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7986 0.2697 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 11 17 2 0 0 0 0 17 18 1 0 0 0 0 M END > (Z2234714173) Z2234714173 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 4.0180 3.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 3.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 2.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 3.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5302 2.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 1.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 1.1007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 0.3575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1272 0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2318 1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 0.2642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.7358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0097 -0.2358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 0.5731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 -2.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3709 -3.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3489 -3.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -3.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 11 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 20 25 2 0 0 0 0 M END > (Z2233992468) Z2233992468 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 3.8221 0.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1749 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 -2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 -2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -1.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5058 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 0.0484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1211 -0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8736 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 0.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 0.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7176 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 M END > (Z2739991166) Z2739991166 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 3.6740 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 0.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 -1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -0.3362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8261 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8261 0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -1.1452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -1.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 0.1638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 1.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 10 18 1 0 0 0 0 18 19 2 0 0 0 0 M END > (Z2097067426) Z2097067426 $$$$ -ISIS- -- StrEd -- 23 24 0 0 0 0 0 0 0 0999 V2000 3.4642 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 0.2501 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3300 -0.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 1.2499 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 3 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 15 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 2 21 1 23 -1 M END > (Z1642666349) Z1642666349 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 -1.6315 3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6315 2.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 2.9433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 0.9433 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 1.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 -0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9097 -0.6445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 -1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3994 -1.5957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 -2.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 -2.4046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 -3.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 -3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8796 -3.3556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 M END > (Z1685121296) Z1685121296 $$$$ -ISIS- -- StrEd -- 19 20 0 0 0 0 0 0 0 0999 V2000 2.1201 1.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1351 1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 2.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1201 1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 2.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 2.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 0.1666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -0.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 0.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -1.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1827 -1.9213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 -2.8723 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1265 -2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4354 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 -1.6122 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (Z2607678886) Z2607678886 $$$$ -ISIS- -- StrEd -- 16 16 0 0 0 0 0 0 0 0999 V2000 -5.3901 -0.0177 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6758 0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 -0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9439 0.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 -0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 -0.3182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6029 1.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0812 0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3901 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -1.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 8 16 1 0 0 0 0 11 16 2 0 0 0 0 M END > (Z2687203980) Z2687203980 > (Z2687203980) Cl $$$$ -ISIS- -- StrEd -- 25 27 0 0 0 0 0 0 0 0999 V2000 -1.0683 -0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 0.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9347 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8831 -1.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 -0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3778 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 0.5642 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 1.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 0.6573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 1.8597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 0.7857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 -0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 -0.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -0.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 -1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 0.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 4 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 13 25 1 0 0 0 0 16 25 2 0 0 0 0 M END > (Z512785882) Z512785882 $$$$ -ISIS- -- StrEd -- 19 18 0 0 0 0 0 0 0 0999 V2000 -3.8123 -0.1830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 -1.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 -2.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 -2.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 -1.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 -0.4329 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2142 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 2.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3836 3.0670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0179 3.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 1.7010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > (Z2040113172) Z2040113172 > (Z2040113172) Cl $$$$ -ISIS- -- StrEd -- 23 26 0 0 0 0 0 0 0 0999 V2000 -2.8089 -1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 -1.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4429 -3.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 -3.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 -1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9721 -0.2270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1751 1.7034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7575 2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3506 3.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 3.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2316 2.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7262 3.5876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 2.3852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8953 1.9784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6874 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1631 -1.6282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 8 22 2 0 0 0 0 22 23 1 0 0 0 0 6 23 1 0 0 0 0 M END > (Z2045673333) Z2045673333 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1619 1.5568 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4709 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4492 0.3978 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6109 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 1.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1544 0.3978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 M END > (Z2639916972) Z2639916972 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 1.7172 0.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.2434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1388 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 2.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0084 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0804 3.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 2.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4169 -1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8462 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8295 -2.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7801 -3.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6101 -3.4914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 -2.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 M END > (Z2752945418) Z2752945418 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 -0.2973 -4.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -3.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1707 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 -1.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1227 -1.2279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -2.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7725 -0.8796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 0.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0948 1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 1.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 2.9304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4997 3.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 4.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7999 3.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -1.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -2.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 -2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1684 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 1 0 0 0 0 M END > (Z1991609809) Z1991609809 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -4.8855 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 -0.4331 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 0.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3855 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2025 1.2420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0193 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0193 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2025 -0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3855 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 2 0 0 0 0 18 19 1 0 0 0 0 11 19 1 0 0 0 0 8 20 2 0 0 0 0 20 21 1 0 0 0 0 5 21 2 0 0 0 0 M END > (Z2041973726) Z2041973726 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 -4.3774 3.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8775 2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8774 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3773 1.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3775 1.8464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7897 2.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1613 2.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 2.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 -0.1536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 -0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -0.2469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 -1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -1.6479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -2.7694 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3774 -2.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -3.5786 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1613 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7897 1.0374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 11 21 1 0 0 0 0 7 21 1 0 0 0 0 21 22 2 0 0 0 0 5 22 1 0 0 0 0 M CHG 2 18 1 20 -1 M END > (Z2000042071) Z2000042071 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 -1.2990 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 10 16 2 0 0 0 0 M END > (Z2734335035) Z2734335035 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 -1.8565 -3.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9903 -3.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9903 -4.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 -5.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -5.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 -3.1174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0197 -2.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9584 -1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -1.0016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7773 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2173 -0.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1843 0.7212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4037 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 3.0692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 4.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 4.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 5.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 4.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9055 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 2.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 -2.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7893 -3.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 -4.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 16 21 1 0 0 0 0 13 21 1 0 0 0 0 21 22 2 0 0 0 0 8 23 1 0 0 0 0 23 24 2 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > (Z2709990328) Z2709990328 $$$$ -ISIS- -- StrEd -- 18 20 0 0 0 0 0 0 0 0999 V2000 -3.3893 -0.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5236 -0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5236 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0233 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -0.0669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 0.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 -0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8067 0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 -0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9113 -0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 M END > (Z32327641) Z32327641 $$$$ -ISIS- -- StrEd -- 17 17 0 0 1 0 0 0 0 0999 V2000 -3.2063 -0.0585 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 3.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 2.7487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2063 2.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8973 1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8973 1.2099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3096 0.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5352 -2.2350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 -3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 -2.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 -3.7487 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 -2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 -1.2172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 2.1610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 2.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 9 15 2 0 0 0 0 6 16 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > (Z2573022641) Z2573022641 > (Z2573022641) I $$$$ -ISIS- -- StrEd -- 20 23 0 0 0 0 0 0 0 0999 V2000 3.2305 0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 0.9399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 1.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 2.2455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9221 1.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4936 0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1768 -0.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 -0.4849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5195 0.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4044 1.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3821 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 -1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2058 -1.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 -2.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 8 19 1 0 0 0 0 19 20 2 0 0 0 0 M END > (Z2365300248) Z2365300248 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 2.9640 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2322 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2322 0.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2322 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -2.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -3.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 -3.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 -2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M END > (Z1690166460) Z1690166460 $$$$ -ISIS- -- StrEd -- 16 18 0 0 0 0 0 0 0 0999 V2000 -2.0781 -1.3800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 -0.1199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 0.8800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 1.1890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 1.3800 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 -0.4291 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 9 15 2 0 0 0 0 15 16 1 0 0 0 0 7 16 1 0 0 0 0 M END > (Z2035160277) Z2035160277 $$$$ -ISIS- -- StrEd -- 17 16 0 0 0 0 0 0 0 0999 V2000 -3.0893 -0.0937 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 10 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 6 17 2 0 0 0 0 M END > (Z2472860006) Z2472860006 > (Z2472860006) Cl $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 2.2320 -0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3662 -1.3457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3662 -2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1749 -2.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 -3.8845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -3.8845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 -4.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -2.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 -0.8455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0001 0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 0.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 2.1542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 3.1545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 3.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 4.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 4.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 3.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 3 8 2 0 0 0 0 2 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 M END > (Z2227842621) Z2227842621 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 1.3040 4.0584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8769 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.8558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 -2.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 -1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2942 -2.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -3.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -4.0584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 -3.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 -2.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 M END > (Z2754392533) Z2754392533 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 2.3728 3.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 2.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8658 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 1.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 -0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9192 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2035 -0.6838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 -1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 -2.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3758 -1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2393 -2.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0287 -3.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9549 -3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0915 -2.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 -0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -0.5934 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 2 0 0 0 0 12 22 1 0 0 0 0 M END > (Z1619956056) Z1619956056 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 2.7651 0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 -0.0616 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -0.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 0.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 -1.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 -1.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 -0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8312 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 0.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9237 1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 2.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8465 -2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 6 21 1 0 0 0 0 M END > (Z1839074217) Z1839074217 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 3.6768 -2.1805 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7255 -1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4166 -2.8225 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0346 -0.9203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -0.5844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 0.1587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7359 1.0249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 0.8171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0788 -0.1775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 0.8225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6768 1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6768 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 2.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0788 2.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0788 0.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 12 23 1 0 0 0 0 23 24 1 0 0 0 0 15 24 1 0 0 0 0 19 24 2 0 0 0 0 M END > (Z1865177465) Z1865177465 $$$$ -ISIS- -- StrEd -- 17 17 0 0 1 0 0 0 0 0999 V2000 -3.9552 -0.3437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 2.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9552 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9552 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 0.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 -1.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -1.4999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4912 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 -1.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 10 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 M END > (Z2148365513) Z2148365513 > (Z2148365513) Cl $$$$ -ISIS- -- StrEd -- 28 31 0 0 0 0 0 0 0 0999 V2000 -0.5001 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.2991 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -0.4331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 -3.0311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -1.2991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 -1.2991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0001 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 5 19 1 0 0 0 0 13 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 20 25 2 0 0 0 0 2 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > (Z2216795522) Z2216795522 $$$$ -ISIS- -- StrEd -- 23 24 0 0 0 0 0 0 0 0999 V2000 3.8322 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 1.7826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6983 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 1.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 -1.2563 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1571 -0.3052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2311 -1.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 -2.0198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 -2.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 -1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 -0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 -1.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6983 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M END > (Z2010810363) Z2010810363 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 -0.3164 -3.3503 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6252 -2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 -2.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 -1.0324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0438 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4039 0.0380 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1471 -0.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3393 0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 0.7812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 1.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 3.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 3.3503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 3.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 3.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 1.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 2 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z2752949341) Z2752949341 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 1.3654 4.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6963 3.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0052 2.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3361 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 2.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 1.1178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1639 0.1670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7517 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 -1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 -1.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -2.7583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1758 -3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 -4.1430 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 -2.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 1.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4239 1.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 11 16 1 0 0 0 0 9 17 1 0 0 0 0 4 17 1 0 0 0 0 17 18 2 0 0 0 0 M END > (Z1052624322) Z1052624322 $$$$ -ISIS- -- StrEd -- 14 15 0 0 0 0 0 0 0 0999 V2000 1.6079 1.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 0.6746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4170 0.0869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3681 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -0.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -0.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 0.0869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 -0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -1.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 -1.6746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 -1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8734 -0.0654 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 9 14 1 0 0 0 0 M END > (Z2601224833) Z2601224833 $$$$ -ISIS- -- StrEd -- 20 21 0 0 0 0 0 0 0 0999 V2000 -1.3660 4.0241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 3.5242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 4.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 3.0240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 0.6100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -0.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.8901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -1.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 -1.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.3903 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -3.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -4.3902 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -3.3903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.3903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 10 15 2 0 0 0 0 15 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2732700892) Z2732700892 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 1.0168 -1.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5811 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5811 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2266 0.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 1.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3959 2.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 1.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7488 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5306 -0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -1.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 -2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4072 -2.1899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 -1.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7433 -1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 16 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > (Z1454831007) Z1454831007 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 -2.1520 -0.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -1.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -2.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 -3.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -3.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9931 -3.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3155 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1627 -0.5582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4935 -1.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5693 2.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 2.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0304 3.8087 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 2.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0476 1.4294 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 M END > (Z2734746453) Z2734746453 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 3.3675 3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3675 2.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2333 1.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6945 -2.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6457 -2.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6457 -1.1906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6945 -1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 10 18 2 0 0 0 0 7 19 2 0 0 0 0 19 20 1 0 0 0 0 4 20 2 0 0 0 0 M CHG 2 1 -1 2 1 M END > (Z1587247190) Z1587247190 $$$$ -ISIS- -- StrEd -- 24 27 0 0 0 0 0 0 0 0999 V2000 1.6869 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6869 -1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 -3.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 -3.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 -2.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -0.1359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0927 -0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3005 -1.5208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 -3.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 -2.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 -1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 -1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 0.2004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2617 1.0666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7163 0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2515 2.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 3.1749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9457 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1537 1.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 1.2188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 8 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 7 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 19 24 2 0 0 0 0 M END > (Z1715510014) Z1715510014 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 3.8408 3.8428 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 3.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1089 1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 2.0339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2963 2.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 3.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 3.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1089 3.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6518 0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3427 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 -0.8194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -0.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9957 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -1.7703 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 -1.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 -2.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2535 -2.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6383 -3.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6328 -3.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 -2.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 2 0 0 0 0 9 10 1 0 0 0 0 2 10 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 M END > (Z2011463904) Z2011463904 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 2.1739 -1.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2229 -1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -2.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9137 -3.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -3.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 -1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3461 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -0.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9137 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 0.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6739 0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 0.3374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9829 1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1739 1.8763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 1.2885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1739 2.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1739 3.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 2.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 2.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2193996578) Z2193996578 $$$$ -ISIS- -- StrEd -- 20 23 0 0 0 0 0 0 0 0999 V2000 1.5311 -0.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0657 1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4947 2.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 2.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 2.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8347 1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 3.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0984 -0.7813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 -1.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 -2.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7278 -1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1937 -2.7966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 -3.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1814 -3.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 -2.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2732440018) Z2732440018 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -3.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7318 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7318 2.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.7502 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 7 17 2 0 0 0 0 12 17 1 0 0 0 0 M END > (Z2734328266) Z2734328266 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -3.2953 -2.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 -1.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 -1.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 0.2032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 -0.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 -1.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 -1.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 -1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 1.9157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 2.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9299 2.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6717 0.8359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 6 12 2 0 0 0 0 12 13 1 0 0 0 0 3 13 2 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 M END > (Z2017148685) Z2017148685 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 2.2026 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 -1.6225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 -2.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -2.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 -3.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 -1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4426 -1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -0.3351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5745 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 1.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 0.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3176 1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2685 1.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0117 2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8526 3.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 M END > (Z2527677243) Z2527677243 $$$$ -ISIS- -- StrEd -- 23 26 0 0 0 0 0 0 0 0999 V2000 4.4699 0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 0.1692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 -0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7746 0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 1.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 -0.0858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 -1.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 -0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 -0.8133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2689 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 -0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4699 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1003 1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1203 1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 -1.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 12 23 1 0 0 0 0 8 23 1 0 0 0 0 M END > (Z2524124232) Z2524124232 $$$$ -ISIS- -- StrEd -- 18 19 0 0 1 0 0 0 0 0999 V2000 -4.9455 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 -0.3514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2133 -1.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 -0.3514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6154 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5108 1.1432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4673 1.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 -0.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 1.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 1.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9455 0.0671 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3631 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3686 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 12 18 2 0 0 0 0 M END > (Z1996607401) Z1996607401 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 1.5123 -1.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 -0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1777 -0.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 1.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3221 1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9113 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1338 2.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 1.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -0.1358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4023 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 -1.6445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 -2.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 -0.6259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -1.9812 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 -0.8085 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 -2.6969 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 4 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M END > (Z2754391878) Z2754391878 $$$$ -ISIS- -- StrEd -- 25 28 0 0 0 0 0 0 0 0999 V2000 -4.5560 -3.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 -3.0171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5377 -2.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3469 -1.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.5331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 0.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1807 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 1.5576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2852 2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 3.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 3.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 2.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 3.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 2.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 1.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0151 -1.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 -1.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 21 22 1 0 0 0 0 14 22 1 0 0 0 0 7 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 5 25 1 0 0 0 0 M END > (Z2764297963) Z2764297963 $$$$ -ISIS- -- StrEd -- 15 15 0 0 0 0 0 0 0 0999 V2000 -0.5000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 -3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 8 14 2 0 0 0 0 14 15 1 0 0 0 0 M END > (Z1966675788) Z1966675788 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 1.2023 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3467 -2.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3467 -0.4409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 -0.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 -0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M END > (Z2740003266) Z2740003266 $$$$ -ISIS- -- StrEd -- 26 29 0 0 0 0 0 0 0 0999 V2000 -3.6187 0.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1851 2.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3325 2.9869 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 2.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 2.5533 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 1.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 0.5679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9444 -0.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4432 -1.1515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1544 -2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9007 -2.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -2.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 -2.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0615 -1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 -0.8070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 -1.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -2.4197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 -2.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -1.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6187 -0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 -2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 21 22 1 0 0 0 0 12 22 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M END > (Z2710728157) Z2710728157 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 -2.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.7501 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 9 18 2 0 0 0 0 13 18 1 0 0 0 0 M END > (Z416962210) Z416962210 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 2.9885 4.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 3.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 2.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 2.3191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 1.3680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3136 2.3191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.5588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -0.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -1.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 -1.0590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 -1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4196 -2.8190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -3.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -4.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -2.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9885 -3.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 -1.8679 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 14 20 1 0 0 0 0 M END > (Z1401222680) Z1401222680 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 1.6197 2.3762 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7423 -0.0196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9332 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -0.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9152 0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2108 -0.7885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2108 -1.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -2.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 -2.0973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0351 -1.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 -1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0351 -0.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 -0.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0494 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 8 16 1 0 0 0 0 16 17 2 0 0 0 0 M END > (Z2193994318) Z2193994318 $$$$ -ISIS- -- StrEd -- 21 23 0 0 1 0 0 0 0 0999 V2000 -1.2403 3.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 2.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 0.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3420 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -0.2304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3032 -1.2085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -0.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 -2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 -2.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 -3.7561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1159 -3.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 -2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6159 -2.2172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 2.1682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 15 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 2 0 0 0 0 2 21 1 0 0 0 0 M END > (Z2394888625) Z2394888625 $$$$ -ISIS- -- StrEd -- 18 19 0 0 0 0 0 0 0 0999 V2000 0.3525 2.8723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 0.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9178 0.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 0.6666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 -0.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 -0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 -0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -1.9211 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4178 -2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4177 -2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1088 -1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8422 -1.6122 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 2 0 0 0 0 17 18 1 0 0 0 0 M END > (Z2700144866) Z2700144866 $$$$ -ISIS- -- StrEd -- 15 15 0 0 0 0 0 0 0 0999 V2000 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 3 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > (Z2350903957) Z2350903957 $$$$ -ISIS- -- StrEd -- 19 21 0 0 0 0 0 0 0 0999 V2000 -3.5095 1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5436 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2849 2.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 2.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1635 0.4670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8024 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0611 1.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 0.0188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5093 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5093 -0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 -0.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5093 -1.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0095 -2.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -2.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8366 0.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0953 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 17 1 0 0 0 0 6 18 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (Z1913062544) Z1913062544 $$$$ -ISIS- -- StrEd -- 17 20 0 0 0 0 0 0 0 0999 V2000 2.3040 2.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2176 2.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 1.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -0.2186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 -0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 0.4393 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 -1.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 -2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -2.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 -2.3642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2176 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -1.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 2 0 0 0 0 16 17 1 0 0 0 0 9 17 2 0 0 0 0 M END > (Z2858485738) Z2858485738 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 1.0000 1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.7071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.7071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -4.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 2.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 4.7072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 2 0 0 0 0 2 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 M END > (Z2752949329) Z2752949329 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 -3.0311 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -1.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -1.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 6 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (Z1784386656) Z1784386656 $$$$ -ISIS- -- StrEd -- 20 22 0 0 0 0 0 0 0 0999 V2000 3.4434 2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 -0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5311 -1.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 -0.4990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3556 -1.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 -1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -1.9465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2217 -1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 -2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9538 -1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8674 -1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 -1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5311 -1.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 -0.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -0.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 -0.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 -0.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6344 0.4521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 10 18 2 0 0 0 0 18 19 1 0 0 0 0 8 19 1 0 0 0 0 6 20 1 0 0 0 0 2 20 2 0 0 0 0 M END > (Z1685036488) Z1685036488 $$$$ -ISIS- -- StrEd -- 18 19 0 0 1 0 0 0 0 0999 V2000 -2.9703 -0.0471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 1.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 0.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2953 1.3185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6044 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1043 0.7304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1043 -0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -0.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1043 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 -1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 -2.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3006 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 -0.4603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 10 18 2 0 0 0 0 14 18 1 0 0 0 0 M END > (Z2754393044) Z2754393044 > (Z2754393044) Cl $$$$ -ISIS- -- StrEd -- 23 24 0 0 0 0 0 0 0 0999 V2000 2.3583 3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 2.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 1.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 0.9577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 -0.8022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -0.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 0.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 -1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 -2.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6778 -3.0456 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -2.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 -1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7657 -0.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 0.1114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 -0.1100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5747 -1.2856 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5801 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1733 -1.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 -0.6978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 5 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 18 22 1 0 0 0 0 3 22 2 0 0 0 0 22 23 1 0 0 0 0 M END > (Z2672641789) Z2672641789 $$$$ -ISIS- -- StrEd -- 23 26 0 0 1 0 0 0 0 0999 V2000 3.2180 0.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 0.1196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.2238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9667 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 -0.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 -2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -3.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 -3.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -2.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 -1.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 1.0899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5426 2.0035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 2.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7113 3.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6251 3.2058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5205 2.2114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 8 16 2 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 19 23 1 0 0 0 0 M END > (Z2384752184) Z2384752184 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 -4.7631 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 -0.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 1.3169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4328 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -0.0493 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 1.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 0.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -0.6831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -0.1832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 6 21 2 0 0 0 0 21 22 1 0 0 0 0 3 22 2 0 0 0 0 M END > (Z1837805338) Z1837805338 $$$$ -ISIS- -- StrEd -- 21 24 0 0 1 0 0 0 0 0999 V2000 3.7912 -0.7135 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 -2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 -2.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -2.5225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 -1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 -0.8473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8403 -0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 0.2353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7912 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3845 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 1.7136 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 2.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 1.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1821 0.7354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4389 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 6 0 0 0 9 18 1 0 0 0 0 7 19 1 0 0 0 0 19 20 1 0 0 0 0 5 20 2 0 0 0 0 20 21 1 0 0 0 0 2 21 2 0 0 0 0 M END > (Z2071247995) Z2071247995 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 -3.1469 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -0.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 0.5668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -0.4332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6469 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 1 0 0 0 0 M END > (Z2144416714) Z2144416714 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 1.8641 2.7240 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0378 1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3851 -0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7927 -1.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0868 -1.5572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 -0.9144 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0364 -0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 -1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4453 -0.2717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3849 -0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 -2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 1.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 7 19 1 0 0 0 0 19 20 1 0 0 0 0 7 20 1 0 0 0 0 5 21 2 0 0 0 0 21 22 1 0 0 0 0 2 22 2 0 0 0 0 M END > (Z2581325780) Z2581325780 $$$$ -ISIS- -- StrEd -- 20 20 0 0 0 0 0 0 0 0999 V2000 -0.4913 4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 -3.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 -3.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 -0.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 -0.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1068 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1068 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 M END > (Z2740003164) Z2740003164 $$$$ -ISIS- -- StrEd -- 17 18 0 0 0 0 0 0 0 0999 V2000 -1.8186 2.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8186 1.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.9521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 0.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7308 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 -0.7034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7419 -0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8464 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -1.4465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 -1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 -2.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3186 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5786 1.2611 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 4 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > (Z2106591322) Z2106591322 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 0.7913 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 -0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 -1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6215 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1214 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4523 0.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6574 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1214 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1214 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 -0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 7 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 M END > (Z1731195166) Z1731195166 $$$$ -ISIS- -- StrEd -- 26 30 0 0 0 0 0 0 0 0999 V2000 -3.4522 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9519 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4522 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9519 -2.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -2.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4522 -2.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4522 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1356 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -1.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1356 -0.3459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1515 0.8130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 1.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 2.5070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 2.8871 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 1.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 2 0 0 0 0 25 26 1 0 0 0 0 14 26 2 0 0 0 0 18 26 1 0 0 0 0 M END > (Z1983690938) Z1983690938 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 3.0564 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 2.7943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 1.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 0.2554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 0.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 -0.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5095 -1.4673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 -2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3228 -3.2942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 -3.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 -2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -2.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 -2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0619 -1.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 -1.8581 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 1.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 15 21 2 0 0 0 0 7 22 1 0 0 0 0 4 22 1 0 0 0 0 M END > (Z1912614781) Z1912614781 $$$$ -ISIS- -- StrEd -- 16 17 0 0 0 0 0 0 0 0999 V2000 1.2245 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.1829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 -0.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 -0.1534 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 0.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 2 0 0 0 0 2 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M END > (Z1444503179) Z1444503179 $$$$ -ISIS- -- StrEd -- 20 22 0 0 1 0 0 0 0 0999 V2000 -3.5679 -2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 -1.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 -1.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -1.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 -0.2067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 0.3810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -1.1578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 0.1021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1712 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 1.0533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 -0.4856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6712 -1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 -2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 -2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 1.8622 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 2.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 1.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 2.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 9 7 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 16 1 0 0 0 0 11 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 M END > (Z2761887943) Z2761887943 $$$$ -ISIS- -- StrEd -- 23 25 0 0 0 0 0 0 0 0999 V2000 0.0559 -2.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 -1.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 0.7170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 1.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6132 1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2385 2.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5312 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3791 0.9369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7537 0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 1.1448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3442 1.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4911 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3571 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3571 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4911 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 9 17 1 0 0 0 0 7 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 5 23 1 0 0 0 0 18 23 2 0 0 0 0 M END > (Z1888044366) Z1888044366 $$$$ -ISIS- -- StrEd -- 14 15 0 0 0 0 0 0 0 0999 V2000 -2.1365 2.2694 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4044 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4617 1.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4617 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8277 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4044 0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > (Z1910896112) Z1910896112 $$$$ -ISIS- -- StrEd -- 22 24 0 0 0 0 0 0 0 0999 V2000 0.3363 1.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2022 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2022 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3363 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3363 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5295 0.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1277 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0789 -1.5590 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6665 -0.7498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0789 0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1277 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 -0.2499 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6665 0.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 -1.2499 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 14 18 2 0 0 0 0 18 19 1 0 0 0 0 11 19 2 0 0 0 0 5 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 2 20 1 22 -1 M END > (Z1840853900) Z1840853900 $$$$ -ISIS- -- StrEd -- 21 23 0 0 0 0 0 0 0 0999 V2000 3.7877 1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7877 0.7842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5967 0.1964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9788 0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 -0.1636 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6155 0.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9539 -0.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5415 -0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 -1.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7184 0.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 0.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 -0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2874 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5967 -0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 -0.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 M END > (Z1894573105) Z1894573105 $$$$ -ISIS- -- StrEd -- 25 29 0 0 0 0 0 0 0 0999 V2000 0.1531 -1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5085 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1186 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3483 0.1831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 0.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 2.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 3.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 3.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 1.6896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 -0.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9651 -1.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8272 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 -3.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -3.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0727 -3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -2.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 9 18 2 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 20 25 2 0 0 0 0 M END > (Z2614829687) Z2614829687 $$$$ -ISIS- -- StrEd -- 22 23 0 0 0 0 0 0 0 0999 V2000 1.2808 4.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6116 3.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 4.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 3.0356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 2.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 1.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1116 2.0844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 1.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 -1.3607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 -1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 -2.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -3.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7508 -2.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8904 -3.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6993 -4.1455 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -2.7485 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3027 -4.3666 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1973 3.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1485 3.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 7 21 1 0 0 0 0 2 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > (Z1317987274) Z1317987274 $$$$ -ISIS- -- StrEd -- 17 19 0 0 0 0 0 0 0 0999 V2000 2.2151 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2151 -0.8325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0242 -1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 -2.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -2.3713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -1.1111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8541 -0.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.1602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0242 1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 2.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 2.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 M END > (Z2379767544) Z2379767544 $$$$