SciTegic07110717392D 19 21 0 0 0 0 999 V2000 -1.2538 2.9442 0.0000 C 0 0 -1.2143 4.4436 0.0000 C 0 0 -2.4932 5.2276 0.0000 C 0 0 -3.8115 4.5120 0.0000 C 0 0 -3.8510 3.0125 0.0000 C 0 0 -2.5721 2.2286 0.0000 C 0 0 -2.1026 0.8246 0.0000 C 0 0 2 0 0 0 -1.6652 -0.6074 0.0000 C 0 0 -2.7039 -1.7074 0.0000 O 0 0 -4.1625 -1.3701 0.0000 C 0 0 -5.1837 -2.4648 0.0000 C 0 0 -6.6423 -2.1274 0.0000 C 0 0 -7.0796 -0.6955 0.0000 C 0 0 -6.0584 0.3992 0.0000 C 0 0 -4.5998 0.0619 0.0000 C 0 0 -3.5786 1.1566 0.0000 C 0 0 -3.8736 2.1121 0.0000 O 0 0 -7.6684 -3.2227 0.0000 O 0 0 -2.4567 6.7280 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 5 6 1 0 7 6 1 6 7 16 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 M END > ZINC03833872 > 1 $$$$ SciTegic07110717392D 21 23 0 0 0 0 999 V2000 -0.3252 6.8529 0.0000 C 0 0 -0.2192 5.3760 0.0000 C 0 0 1 0 0 0 1.0023 6.2419 0.0000 C 0 0 2.3733 5.6023 0.0000 C 0 0 2.5123 4.1117 0.0000 C 0 0 3.8728 3.4870 0.0000 C 0 0 4.0118 1.9964 0.0000 C 0 0 2.7903 1.1306 0.0000 C 0 0 1.4298 1.7553 0.0000 C 0 0 1.2908 3.2459 0.0000 C 0 0 2 0 0 0 -0.0697 3.8706 0.0000 C 0 0 1 0 0 0 -1.5420 4.0232 0.0000 C 0 0 -2.4530 2.8305 0.0000 C 0 0 -3.9415 3.0221 0.0000 C 0 0 2 0 0 0 -5.4040 3.2465 0.0000 C 0 0 -6.3135 2.0537 0.0000 C 0 0 2 0 0 0 -5.7353 0.6696 0.0000 C 0 0 -4.2475 0.4784 0.0000 C 0 0 -3.7849 -0.6289 0.0000 O 0 0 -3.3380 1.6712 0.0000 O 0 0 -6.8504 3.4333 0.0000 O 0 0 2 1 1 1 2 11 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 10 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 10 9 1 6 10 11 1 0 11 12 1 1 12 13 1 0 14 13 1 1 14 20 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 1 6 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03833887 > 2 $$$$ SciTegic07110717392D 29 30 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 2 0 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8563 -0.0230 0.0000 C 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 2 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 17 1 0 13 12 1 6 13 14 1 0 14 15 1 0 14 19 1 1 15 16 1 0 15 18 1 1 16 17 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 28 1 6 22 23 1 0 23 24 1 0 23 27 1 6 24 25 1 0 25 26 2 0 25 29 1 0 M CHG 1 29 -1 M END > ZINC04134477 > 3 $$$$ SciTegic07110717392D 30 32 0 0 0 0 999 V2000 3.6464 2.9395 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1 0 0 0 1.1749 3.7441 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 1 0 0 0 7.0904 0.0600 0.0000 C 0 0 8.5912 0.0740 0.0000 C 0 0 1 0 0 0 9.3545 -1.2183 0.0000 C 0 0 10.8552 -1.2043 0.0000 C 0 0 11.4655 -2.2375 0.0000 O 0 0 7.8104 1.3897 0.0000 O 0 0 5.5952 -2.5763 0.0000 O 0 0 1.6694 -2.7034 0.0000 C 0 0 0.2951 -3.3087 0.0000 C 0 0 0.1370 -4.8003 0.0000 C 0 0 1.3498 -5.6830 0.0000 C 0 0 2.7206 -5.0741 0.0000 C 0 0 2.8787 -3.5824 0.0000 C 0 0 1.2234 -6.8763 0.0000 F 0 0 11.4452 -0.1593 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 4 1 0 4 12 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 22 1 1 16 17 1 0 17 18 1 0 17 21 1 6 18 19 1 0 19 20 2 0 19 30 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 M CHG 1 30 -1 M END > ZINC01530640 > 4 $$$$