SciTegic07110717492D 17 20 0 0 0 0 999 V2000 -4.1672 0.0000 0.0000 C 0 0 -3.6810 1.1807 0.0000 C 0 0 -2.2225 1.5280 0.0000 C 0 0 -1.2039 0.3704 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 -3.1485 -1.3659 0.0000 C 0 0 -0.4399 -1.9215 0.0000 C 0 0 0.7408 -1.0186 0.0000 C 0 0 0.3010 0.3704 0.0000 C 0 0 1.5048 1.2733 0.0000 N 0 0 2.7318 0.3704 0.0000 N 0 0 2.2688 -1.0186 0.0000 C 0 0 3.1463 -2.2361 0.0000 C 0 0 4.6254 -2.3371 0.0000 C 0 0 4.9728 -3.7963 0.0000 C 0 0 3.6923 -4.5776 0.0000 C 0 0 2.5536 -3.6012 0.0000 S 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC00007582 > 1 $$$$ SciTegic07110717492D 17 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.3786 3.8595 0.0000 C 0 0 -1.8372 5.2877 0.0000 C 0 0 -3.3372 5.2929 0.0000 N 0 0 -3.8056 3.8679 0.0000 N 0 0 -0.9509 6.4988 0.0000 C 0 0 -1.3101 7.9371 0.0000 C 0 0 -0.0286 8.7167 0.0000 C 0 0 1.1089 7.7388 0.0000 C 0 0 0.5304 6.3549 0.0000 S 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC04617989 > 2 $$$$ SciTegic07110717492D 18 20 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1643 3.1481 0.0000 C 0 0 1.2381 1.9700 0.0000 C 0 0 1.6467 0.5336 0.0000 C 0 0 3.0015 -0.1196 0.0000 C 0 0 3.0915 -1.6366 0.0000 C 0 0 1.8470 -2.4651 0.0000 C 0 0 0.4821 -1.7967 0.0000 C 0 0 0.4022 -0.2948 0.0000 C 0 0 -0.7652 0.6364 0.0000 N 0 0 -0.2333 2.0418 0.0000 C 0 0 -0.8911 3.0455 0.0000 O 0 0 7.4072 2.0511 0.0000 C 0 0 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 18 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 M END > ZINC03834201 > 3 $$$$ SciTegic07110717492D 19 22 0 0 0 0 999 V2000 -3.2576 -1.3543 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -0.6588 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 0.9517 2.3608 0.0000 N 0 0 2.4524 2.5256 0.0000 N 0 0 3.0746 1.1530 0.0000 C 0 0 4.5424 0.8405 0.0000 C 0 0 4.8840 -0.6221 0.0000 C 0 0 6.3210 -1.0521 0.0000 C 0 0 7.4120 -0.0227 0.0000 N 0 0 7.0659 1.4369 0.0000 C 0 0 5.6289 1.8669 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC00023575 > 4 $$$$ SciTegic07110717492D 19 22 0 0 0 0 999 V2000 4.7114 -4.7918 0.0000 C 0 0 5.4259 -3.4729 0.0000 C 0 0 4.6409 -2.1947 0.0000 C 0 0 3.1463 -2.2361 0.0000 C 0 0 2.4270 -3.5543 0.0000 C 0 0 3.2120 -4.8325 0.0000 C 0 0 2.2688 -1.0186 0.0000 C 0 0 0.7408 -1.0186 0.0000 C 0 0 0.3010 0.3704 0.0000 C 0 0 1.5048 1.2733 0.0000 N 0 0 2.7318 0.3704 0.0000 N 0 0 -1.2039 0.3704 0.0000 C 0 0 -2.2225 1.5280 0.0000 C 0 0 -3.6810 1.1807 0.0000 C 0 0 -4.1672 0.0000 0.0000 C 0 0 -3.1485 -1.3659 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 -0.4399 -1.9215 0.0000 C 0 0 -0.4288 -3.1215 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 7 11 1 0 8 18 1 0 8 9 1 0 9 12 1 0 9 10 2 0 10 11 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 M END > ZINC02549646 > 5 $$$$ SciTegic07110717492D 20 22 0 0 0 0 999 V2000 4.5826 3.8126 0.0000 C 0 0 3.2866 3.0610 0.0000 C 0 0 1.9105 3.6579 0.0000 C 0 0 0.9175 2.5336 0.0000 C 0 0 1.6799 1.2418 0.0000 N 0 0 3.1277 1.5822 0.0000 C 0 0 4.5235 1.0306 0.0000 C 0 0 4.7441 -0.4513 0.0000 C 0 0 3.6849 -1.4954 0.0000 C 0 0 4.3189 -2.8408 0.0000 N 0 0 5.8046 -2.6344 0.0000 N 0 0 6.0674 -1.1576 0.0000 C 0 0 7.1468 -0.6333 0.0000 O 0 0 2.2070 -1.7560 0.0000 C 0 0 1.6940 -3.1655 0.0000 C 0 0 0.2168 -3.4260 0.0000 N 0 0 -0.7474 -2.2770 0.0000 C 0 0 -0.2344 -0.8674 0.0000 C 0 0 1.2428 -0.6069 0.0000 N 0 0 -0.5739 2.6759 0.0000 C 0 0 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 20 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 12 1 0 8 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 1 0 12 13 2 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC01907301 > 6 $$$$ SciTegic07110717492D 21 24 0 0 0 0 999 V2000 -4.9144 0.7421 0.0000 C 0 0 -6.2151 1.4892 0.0000 C 0 0 -6.2185 2.9892 0.0000 N 0 0 -4.9211 3.7421 0.0000 C 0 0 -3.6204 2.9950 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 N 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 15 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03832396 > 7 $$$$ SciTegic07110717492D 22 24 0 0 0 0 999 V2000 6.5060 5.9837 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 1.1219 3.4882 0.0000 N 0 0 0.6057 2.0789 0.0000 C 0 0 -0.8686 1.8188 0.0000 C 0 0 -1.8308 2.9657 0.0000 C 0 0 -3.3222 2.7119 0.0000 C 0 0 -3.8343 1.3049 0.0000 N 0 0 -2.8550 0.1517 0.0000 C 0 0 -1.3807 0.4118 0.0000 C 0 0 -0.4185 -0.7351 0.0000 N 0 0 1.0558 -0.4750 0.0000 C 0 0 1.5679 0.9320 0.0000 C 0 0 3.0460 1.1926 0.0000 C 0 0 4.2277 1.4010 0.0000 N 0 0 -4.0908 3.6334 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 9 10 1 0 10 19 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 22 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 3 0 M END > ZINC03832388 > 8 $$$$ SciTegic07110717492D 22 23 0 0 0 0 999 V2000 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2 0 0 0 2.5902 -6.0059 0.0000 C 0 0 3.8864 -6.7878 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8902 5.2570 0.0000 C 0 0 5.1877 6.0097 0.0000 C 0 0 6.4883 5.2624 0.0000 N 0 0 6.4914 3.7624 0.0000 C 0 0 5.1939 3.0097 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03832402 > 9 $$$$ SciTegic07110717492D 22 25 0 0 0 0 999 V2000 -8.8184 2.9788 0.0000 C 0 0 -7.5214 3.7340 0.0000 O 0 0 -6.2185 2.9892 0.0000 C 0 0 -6.2151 1.4892 0.0000 C 0 0 -4.9144 0.7421 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 -3.6204 2.9950 0.0000 C 0 0 -4.9211 3.7421 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 1.2071 -3.7498 0.0000 C 0 0 1.9971 -5.0249 0.0000 C 0 0 3.4539 -4.6676 0.0000 S 0 0 3.5643 -3.1717 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 17 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 16 1 0 12 13 2 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 16 17 1 0 18 22 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC00026943 > 10 $$$$ SciTegic07110717492D 23 27 0 0 0 0 999 V2000 5.8082 0.3174 0.0000 C 0 0 4.5100 1.0700 0.0000 C 0 0 4.5100 2.6000 0.0000 C 0 0 3.2000 3.3800 0.0000 C 0 0 1.8700 2.6200 0.0000 C 0 0 1.8600 1.0800 0.0000 C 0 0 3.1900 0.3100 0.0000 C 0 0 0.5300 0.3100 0.0000 C 0 0 0.5300 -1.2300 0.0000 C 0 0 -0.7900 -2.0000 0.0000 C 0 0 -2.1300 -1.2300 0.0000 C 0 0 -3.4700 -2.0000 0.0000 C 0 0 -4.8000 -1.2300 0.0000 N 0 0 -4.8000 0.3000 0.0000 C 0 0 -3.4700 1.0700 0.0000 C 0 0 -2.1300 0.3000 0.0000 C 0 0 -0.8000 1.0700 0.0000 C 0 0 -0.8000 2.6200 0.0000 N 0 0 -0.7900 -3.5400 0.0000 C 0 0 -1.6369 -4.3901 0.0000 O 0 0 1.8700 -3.5300 0.0000 N 0 0 1.8700 -1.9900 0.0000 C 0 0 2.9069 -1.3860 0.0000 O 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 18 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 17 2 0 8 9 1 0 9 22 1 0 9 10 2 0 10 11 1 0 10 19 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 M END > ZINC03832412 > 11 $$$$ SciTegic07110717492D 24 27 0 0 0 0 999 V2000 -2.4150 3.1806 0.0000 C 0 0 -2.4412 1.6800 0.0000 C 0 0 -1.1554 0.9074 0.0000 C 0 0 -1.1816 -0.5923 0.0000 C 0 0 -2.4935 -1.3197 0.0000 C 0 0 -3.7793 -0.5470 0.0000 C 0 0 -3.7531 0.9527 0.0000 C 0 0 -5.0412 1.7231 0.0000 O 0 0 -2.5225 -2.8202 0.0000 N 0 0 -1.2373 -3.5966 0.0000 C 0 0 -1.2799 -5.0003 0.0000 C 0 0 -0.0724 -5.7643 0.0000 C 0 0 1.1778 -5.1245 0.0000 N 0 0 1.2499 -3.6743 0.0000 C 0 0 0.0423 -2.9103 0.0000 C 0 0 0.0947 -1.4911 0.0000 O 0 0 1.3548 -0.8358 0.0000 C 0 0 2.5623 -1.5998 0.0000 C 0 0 3.8321 -0.9290 0.0000 C 0 0 3.9042 0.5212 0.0000 C 0 0 2.6966 1.2852 0.0000 C 0 0 1.4170 0.5989 0.0000 C 0 0 -2.6096 -5.6984 0.0000 C 0 0 -3.6722 -6.2561 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 23 1 0 12 13 1 0 13 14 2 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 3 0 M END > ZINC03832387 > 12 $$$$ SciTegic07110717492D 24 26 0 0 0 0 999 V2000 4.5250 -7.2514 0.0000 C 0 0 3.9196 -5.8781 0.0000 C 0 0 2.7266 -5.7487 0.0000 O 0 0 4.8054 -4.6666 0.0000 N 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 -2.6003 -1.4978 0.0000 O 0 0 -3.8990 -0.7455 0.0000 C 0 0 6.4458 -1.8433 0.0000 C 0 0 7.2285 -3.1249 0.0000 C 0 0 8.7280 -3.0832 0.0000 C 0 0 9.4415 -1.7638 0.0000 C 0 0 8.6557 -0.4861 0.0000 N 0 0 7.1563 -0.5278 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 9 1 0 5 6 2 0 6 7 1 0 6 19 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 17 1 0 13 14 2 0 14 15 1 0 15 16 1 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03832404 > 13 $$$$ SciTegic07110717492D 25 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -0.3115 2.9665 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 -2.4133 1.7530 0.0000 C 0 0 -3.9040 1.5957 0.0000 C 0 0 -4.7857 2.8092 0.0000 C 0 0 -6.2116 2.3461 0.0000 C 0 0 -7.5093 3.0961 0.0000 C 0 0 -8.8084 2.3461 0.0000 C 0 0 -8.8084 0.8461 0.0000 C 0 0 -7.5093 0.0961 0.0000 C 0 0 -6.2116 0.8461 0.0000 C 0 0 -4.7850 0.3826 0.0000 N 0 0 -4.1756 4.1795 0.0000 C 0 0 -2.6838 4.3363 0.0000 C 0 0 -2.3718 5.8027 0.0000 C 0 0 -1.2755 6.2907 0.0000 O 0 0 -3.6709 6.5527 0.0000 N 0 0 -4.7856 5.5490 0.0000 C 0 0 -5.9594 5.7984 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 20 2 0 8 9 1 0 9 10 2 0 10 18 1 0 10 11 1 0 11 12 1 0 11 19 2 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 19 24 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 M END > ZINC00008981 > 14 $$$$ SciTegic07110717492D 25 28 0 0 0 0 999 V2000 -2.2901 -5.2700 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 S 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 N 0 0 -0.9971 3.0138 0.0000 O 0 0 -2.2935 3.7700 0.0000 C 0 0 -2.2878 5.2708 0.0000 C 0 0 -3.5840 6.0257 0.0000 C 0 0 -3.5782 7.5257 0.0000 C 0 0 -2.2764 8.2707 0.0000 N 0 0 -0.9802 7.5158 0.0000 C 0 0 -0.9859 6.0158 0.0000 C 0 0 -5.9259 -5.8786 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 16 2 0 8 9 1 0 9 13 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC01493965 > 15 $$$$ SciTegic07110717492D 26 29 0 0 0 0 999 V2000 6.5060 5.9837 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 -2.9981 0.0000 C 0 0 2.5957 -3.7494 0.0000 C 0 0 3.8952 -3.0002 0.0000 C 0 0 5.1938 -3.7510 0.0000 C 0 0 5.1928 -5.2510 0.0000 N 0 0 3.8933 -6.0002 0.0000 C 0 0 2.5948 -5.2494 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 9 10 1 0 10 19 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03832399 > 16 $$$$ SciTegic07110717492D 25 27 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -1.2947 3.7547 0.0000 C 0 0 -2.6003 -1.4978 0.0000 N 0 0 -3.8990 -0.7455 0.0000 C 0 0 -3.8939 0.7546 0.0000 N 0 0 -5.1903 1.5090 0.0000 C 0 0 -6.4920 0.7635 0.0000 N 0 0 -6.4972 -0.7365 0.0000 C 0 0 -5.2007 -1.4909 0.0000 N 0 0 -7.7994 -1.4823 0.0000 C 0 0 -9.0948 -0.7259 0.0000 C 0 0 -10.3976 -1.4693 0.0000 C 0 0 -10.4051 -2.9693 0.0000 C 0 0 -9.1099 -3.7258 0.0000 C 0 0 -7.8071 -2.9824 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03832393 > 17 $$$$ SciTegic07110717492D 26 29 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.7860 2.9087 0.0000 N 0 0 1.7524 4.0570 0.0000 C 0 0 3.2234 3.7836 0.0000 C 0 0 4.2155 4.9348 0.0000 C 0 0 3.6985 6.3471 0.0000 C 0 0 2.2285 6.6196 0.0000 C 0 0 1.2397 5.4863 0.0000 C 0 0 2.0395 8.1009 0.0000 C 0 0 3.3642 8.7454 0.0000 C 0 0 4.4058 7.6623 0.0000 N 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 25 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 25 26 3 0 M END > ZINC03832401 > 18 $$$$ SciTegic07110717492D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.3421 3.1476 0.0000 O 0 0 1.3070 5.2502 0.0000 C 0 0 0.0079 6.0003 0.0000 C 0 0 0.0079 7.5003 0.0000 N 0 0 1.3070 8.2503 0.0000 C 0 0 2.6060 7.5003 0.0000 N 0 0 2.6060 6.0003 0.0000 C 0 0 3.9073 5.2526 0.0000 N 0 0 5.2060 6.0049 0.0000 C 0 0 6.5073 5.2572 0.0000 C 0 0 7.8048 6.0098 0.0000 C 0 0 9.1054 5.2626 0.0000 C 0 0 9.1085 3.7626 0.0000 N 0 0 7.8110 3.0099 0.0000 C 0 0 6.5104 3.7571 0.0000 C 0 0 -2.5988 -1.5004 0.0000 C 0 0 1 0 0 0 -2.5995 -2.7004 0.0000 F 0 0 -3.6378 -0.9001 0.0000 F 0 0 -3.6383 -2.0999 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 1 1 24 26 1 0 24 27 1 0 M END > ZINC03832394 > 19 $$$$ SciTegic07110717492D 27 30 0 0 0 0 999 V2000 21.3922 -3.4326 0.0000 C 0 0 20.8860 -4.8417 0.0000 C 0 0 19.3956 -5.1017 0.0000 C 0 0 18.4286 -3.9588 0.0000 C 0 0 16.9554 -4.2250 0.0000 C 0 0 15.9885 -3.0821 0.0000 N 0 0 16.4948 -1.6730 0.0000 C 0 0 17.9680 -1.4068 0.0000 C 0 0 18.9349 -2.5497 0.0000 C 0 0 20.4081 -2.2835 0.0000 C 0 0 15.5229 -0.5293 0.0000 N 0 0 14.0464 -0.7981 0.0000 C 0 0 13.6426 -1.9281 0.0000 O 0 0 13.0746 0.3456 0.0000 C 0 0 13.5817 1.7574 0.0000 C 0 0 12.6127 2.9024 0.0000 C 0 0 11.1366 2.6358 0.0000 C 0 0 10.6294 1.2241 0.0000 C 0 0 11.5984 0.0791 0.0000 C 0 0 11.0880 -1.3323 0.0000 N 0 0 9.6107 -1.5969 0.0000 C 0 0 9.1003 -3.0083 0.0000 C 0 0 2 0 0 0 7.8349 -2.2414 0.0000 C 0 0 6.5381 -2.9954 0.0000 C 0 0 6.5427 -4.4954 0.0000 O 0 0 7.8440 -5.2414 0.0000 C 0 0 9.1408 -4.4874 0.0000 C 0 0 1 10 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 22 21 1 1 22 27 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 M END > ZINC03832403 > 20 $$$$ SciTegic07110717492D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.8990 0.7508 0.0000 N 0 0 5.1988 1.5013 0.0000 C 0 0 5.1984 2.7013 0.0000 O 0 0 6.4990 0.7517 0.0000 C 0 0 6.6348 -0.7294 0.0000 C 0 0 8.1015 -1.0433 0.0000 C 0 0 8.8534 0.2547 0.0000 C 0 0 7.8513 1.3708 0.0000 N 0 0 8.7100 -2.4152 0.0000 C 0 0 10.1361 -2.8203 0.0000 C 0 0 10.1736 -4.3198 0.0000 C 0 0 8.7590 -4.8189 0.0000 N 0 0 7.8473 -3.6278 0.0000 N 0 0 11.3221 -1.9008 0.0000 C 0 0 12.6606 -2.5818 0.0000 C 0 0 13.9154 -1.7600 0.0000 C 0 0 13.8311 -0.2624 0.0000 C 0 0 12.4920 0.4134 0.0000 C 0 0 11.2372 -0.4084 0.0000 C 0 0 12.4245 1.6115 0.0000 Cl 0 0 14.9868 -2.3006 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 17 2 0 16 20 1 0 17 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 28 1 0 24 25 2 0 25 26 1 0 25 27 1 0 M END > ZINC03815841 > 21 $$$$ SciTegic07110717492D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.4447 1.8344 0.0000 N 0 0 -7.3271 3.0485 0.0000 C 0 0 -6.8388 4.1447 0.0000 O 0 0 -8.8198 2.8923 0.0000 C 0 0 -9.4278 1.5210 0.0000 C 0 0 -10.9194 1.3619 0.0000 C 0 0 -11.8029 2.5741 0.0000 C 0 0 -11.1950 3.9454 0.0000 C 0 0 -9.7034 4.1045 0.0000 C 0 0 -9.0980 5.4778 0.0000 N 0 0 -9.9838 6.6893 0.0000 C 0 0 -9.3783 8.0626 0.0000 C 0 0 -10.2644 9.2729 0.0000 C 0 0 -9.6593 10.6454 0.0000 C 0 0 -8.1681 10.8077 0.0000 N 0 0 -7.2820 9.5974 0.0000 C 0 0 -7.8871 8.2248 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC04617988 > 22 $$$$ SciTegic07110717492D 29 32 0 0 0 0 999 V2000 -7.4602 -5.3010 0.0000 C 0 0 -7.4724 -3.8002 0.0000 C 0 0 -8.5166 -3.2090 0.0000 O 0 0 -6.1792 -3.0385 0.0000 N 0 0 -6.1914 -1.5377 0.0000 C 0 0 -7.4980 -0.8010 0.0000 C 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -4.9001 -0.7745 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.1277 -4.3539 0.0000 C 0 0 3.1285 -5.4728 0.0000 C 0 0 3.5978 -6.8975 0.0000 C 0 0 5.0663 -7.2034 0.0000 C 0 0 6.0655 -6.0846 0.0000 C 0 0 5.5962 -4.6599 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 21 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > ZINC04617984 > 23 $$$$ SciTegic07110717492D 29 33 0 0 0 0 999 V2000 -14.7916 2.4754 0.0000 C 0 0 -13.3142 2.7350 0.0000 C 0 0 -12.8003 4.1442 0.0000 C 0 0 -13.7638 5.2939 0.0000 C 0 0 -15.2412 5.0343 0.0000 C 0 0 -15.7553 3.6251 0.0000 C 0 0 -17.2334 3.3654 0.0000 C 0 0 -17.7424 1.9597 0.0000 C 0 0 -19.2374 1.6867 0.0000 N 0 0 -20.1938 2.8474 0.0000 C 0 0 -21.6861 2.9031 0.0000 C 0 0 -22.0930 4.3496 0.0000 C 0 0 -20.8667 5.1659 0.0000 N 0 0 -19.6848 4.2531 0.0000 N 0 0 -18.2069 4.5323 0.0000 C 0 0 -22.6144 1.7239 0.0000 C 0 0 -22.0768 0.3362 0.0000 C 0 0 -23.2537 -0.5937 0.0000 C 0 0 -24.5018 0.2382 0.0000 S 0 0 -24.0963 1.6824 0.0000 C 0 0 -11.3227 4.4070 0.0000 O 0 0 -10.8105 5.8177 0.0000 C 0 0 -9.3329 6.0804 0.0000 C 0 0 -7.5573 6.7212 0.0000 C 0 0 -6.2587 7.4720 0.0000 C 0 0 -6.2597 8.9720 0.0000 C 0 0 -7.5592 9.7212 0.0000 C 0 0 -8.8578 8.9703 0.0000 C 0 0 -8.8207 7.4912 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 15 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 16 20 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 21 22 1 0 22 23 1 0 23 29 1 0 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M CHG 1 29 1 M END > ZINC03834197 > 24 $$$$ SciTegic07110717492D 30 33 0 0 0 0 999 V2000 -4.3435 -8.5667 0.0000 C 0 0 -3.3332 -7.4599 0.0000 C 0 0 -3.6381 -5.9981 0.0000 C 0 0 -4.9426 -5.2497 0.0000 C 0 0 -4.9240 -3.7301 0.0000 C 0 0 -3.6234 -2.9927 0.0000 C 0 0 -2.3099 -3.7569 0.0000 C 0 0 -2.3375 -5.2607 0.0000 C 0 0 -1.2396 -6.2730 0.0000 N 0 0 -1.8706 -7.6367 0.0000 N 0 0 -3.6187 -1.4919 0.0000 N 0 0 -4.9155 -0.7364 0.0000 C 0 0 -6.2191 -1.4785 0.0000 C 0 0 -7.5136 -0.7207 0.0000 C 0 0 -7.5046 0.7792 0.0000 N 0 0 -6.2010 1.5214 0.0000 C 0 0 -4.9065 0.7636 0.0000 N 0 0 -6.1889 3.0222 0.0000 N 0 0 -4.8837 3.7630 0.0000 C 0 0 -3.5917 3.0007 0.0000 C 0 0 -2.2856 3.7384 0.0000 C 0 0 -2.2714 5.2383 0.0000 C 0 0 -3.5633 6.0006 0.0000 C 0 0 -4.8694 5.2629 0.0000 C 0 0 -3.5522 7.5014 0.0000 O 0 0 -4.8459 8.2622 0.0000 C 0 0 -0.9661 5.9791 0.0000 O 0 0 -0.9541 7.4799 0.0000 C 0 0 -0.9914 2.9784 0.0000 O 0 0 0.3143 3.7183 0.0000 C 0 0 1 2 1 0 2 10 2 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 29 1 0 22 23 2 0 22 27 1 0 23 24 1 0 23 25 1 0 25 26 1 0 27 28 1 0 29 30 1 0 M END > ZINC04617990 > 25 $$$$ SciTegic07110717492D 30 36 0 0 0 0 999 V2000 5.4000 1.6200 0.0000 C 0 0 4.7600 2.9900 0.0000 C 0 0 3.2300 3.1000 0.0000 C 0 0 2.3900 1.8500 0.0000 C 0 0 3.0400 0.5000 0.0000 C 0 0 4.5400 0.3900 0.0000 C 0 0 1.8800 -0.5000 0.0000 C 0 0 1.8800 -1.9200 0.0000 C 0 0 0.6400 -2.6200 0.0000 C 0 0 -0.6000 -1.9200 0.0000 C 0 0 -3.0900 -1.9200 0.0000 C 0 0 -4.3300 -2.6200 0.0000 C 0 0 -5.5800 -1.9200 0.0000 C 0 0 -5.5800 -0.5000 0.0000 C 0 0 -4.3300 0.2000 0.0000 C 0 0 -3.0900 -0.5000 0.0000 C 0 0 -1.8500 0.2000 0.0000 N 0 0 -0.6000 -0.5000 0.0000 C 0 0 0.6400 0.2000 0.0000 C 0 0 0.9400 1.7000 0.0000 N 0 0 -1.8549 1.7018 0.0000 C 0 0 2 0 0 0 -1.9602 3.1616 0.0000 C 0 0 -3.4281 3.4701 0.0000 C 0 0 -4.1751 2.1693 0.0000 C 0 0 1 0 0 0 -3.1688 1.0569 0.0000 O 0 0 -5.0329 3.3846 0.0000 O 0 0 0.9400 -4.1200 0.0000 C 0 0 0.1354 -5.0103 0.0000 O 0 0 2.3900 -4.2600 0.0000 N 0 0 3.0200 -2.9400 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 20 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 19 2 0 7 8 1 0 8 30 1 0 8 9 2 0 9 10 1 0 9 27 1 0 10 18 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 21 17 1 1 18 19 1 0 19 20 1 0 21 25 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 1 27 28 2 0 27 29 1 0 29 30 1 0 M END > ZINC03832406 > 26 $$$$ SciTegic07110717492D 30 33 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -7.8098 0.7759 0.0000 O 0 0 -7.8176 -0.7249 0.0000 C 0 0 -5.1856 5.2624 0.0000 O 0 0 -6.4814 6.0197 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 23 2 0 4 5 1 0 5 6 1 0 5 20 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 18 19 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > ZINC01494651 > 27 $$$$ SciTegic07110717492D 30 34 0 0 0 0 999 V2000 -2.6807 4.2601 0.0000 C 0 0 -1.2538 4.5621 0.0000 C 0 0 0.2139 4.8717 0.0000 C 0 0 -0.3225 7.4138 0.0000 C 0 0 -1.7902 7.1042 0.0000 C 0 0 1.9627 5.5822 0.0000 C 0 0 3.2373 6.3746 0.0000 C 0 0 4.5613 5.6678 0.0000 C 0 0 5.8340 6.4589 0.0000 N 0 0 7.1937 5.8919 0.0000 C 0 0 8.1711 7.0333 0.0000 C 0 0 7.3890 8.3055 0.0000 C 0 0 5.9372 7.9486 0.0000 C 0 0 4.8847 9.0229 0.0000 C 0 0 5.3150 10.4804 0.0000 C 0 0 6.7668 10.8373 0.0000 C 0 0 7.8237 9.7453 0.0000 C 0 0 9.6672 6.9156 0.0000 C 0 0 10.2040 5.5131 0.0000 C 0 0 11.6861 5.2818 0.0000 C 0 0 12.6275 6.4496 0.0000 C 0 0 12.0868 7.8487 0.0000 N 0 0 10.6047 8.0801 0.0000 C 0 0 12.2271 3.8819 0.0000 C 0 0 11.4031 2.6437 0.0000 C 0 0 12.3478 1.4786 0.0000 C 0 0 13.7478 2.0171 0.0000 S 0 0 13.6684 3.5150 0.0000 C 0 0 -2.2558 5.6783 0.0000 N 0 3 0.6387 6.2890 0.0000 N 0 3 1 29 1 0 2 3 1 0 2 29 1 0 3 30 1 0 4 5 1 0 4 30 1 0 5 29 1 0 6 7 1 0 6 30 1 0 7 8 1 0 8 9 1 0 9 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 18 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 24 1 0 21 22 2 0 22 23 1 0 24 28 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 M CHG 2 29 1 30 1 M END > ZINC03832409 > 28 $$$$ SciTegic07110717492D 31 35 0 0 0 0 999 V2000 -3.3470 15.1454 0.0000 C 0 0 -1.9076 15.5675 0.0000 C 0 0 -0.8223 14.5320 0.0000 C 0 0 -1.1765 13.0745 0.0000 N 0 0 -2.6159 12.6523 0.0000 C 0 0 -3.7011 13.6878 0.0000 C 0 0 -2.9672 11.1931 0.0000 N 0 0 -1.8800 10.1586 0.0000 S 0 0 1 0 0 0 -1.0102 9.3318 0.0000 O 0 0 -0.7290 10.4983 0.0000 O 0 0 -2.2313 8.6995 0.0000 C 0 0 -3.6698 8.2745 0.0000 C 0 0 -4.0210 6.8161 0.0000 C 0 0 -2.9337 5.7828 0.0000 C 0 0 -1.4951 6.2079 0.0000 C 0 0 -1.1440 7.6662 0.0000 C 0 0 -3.2821 4.3230 0.0000 N 0 0 -2.1927 3.2906 0.0000 C 0 0 -2.5402 1.8334 0.0000 C 0 0 -3.9159 1.2667 0.0000 C 0 0 -3.8042 -0.2255 0.0000 C 0 0 -5.0428 -1.0595 0.0000 C 0 0 -6.4718 -0.3121 0.0000 C 0 0 -6.4750 1.1499 0.0000 C 0 0 -5.3155 1.9745 0.0000 C 0 0 -5.6547 3.4084 0.0000 S 0 0 -7.1462 3.4448 0.0000 C 0 0 -7.6464 2.0641 0.0000 N 0 0 -2.3340 -0.5977 0.0000 N 0 0 -1.5478 0.6632 0.0000 C 0 0 -0.3510 0.7506 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 7 1 6 8 9 2 0 8 10 2 0 8 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 17 18 1 0 18 19 2 0 19 30 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 21 29 1 0 22 23 1 0 23 24 2 0 24 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 29 30 1 0 30 31 2 0 M END > ZINC03815839 > 29 $$$$ SciTegic07110717492D 31 35 0 0 0 0 999 V2000 -17.3766 -18.5285 0.0000 C 0 0 -16.1686 -19.4177 0.0000 C 0 0 -14.7945 -18.8161 0.0000 C 0 0 -14.6298 -17.3299 0.0000 C 0 0 -15.8364 -16.4361 0.0000 C 0 0 -17.2105 -17.0377 0.0000 C 0 0 -13.1426 -17.1287 0.0000 N 0 0 -12.1310 -18.1996 0.0000 C 0 0 -10.7739 -17.5542 0.0000 N 0 0 -10.9711 -16.0739 0.0000 C 0 0 -12.4425 -15.8096 0.0000 C 0 0 -12.9673 -14.4001 0.0000 C 0 0 -11.9815 -13.2435 0.0000 C 0 0 -10.5100 -13.5079 0.0000 C 0 0 -9.9885 -14.9353 0.0000 C 0 0 -9.2096 -12.7588 0.0000 C 0 0 -9.2079 -11.2588 0.0000 C 0 0 -7.9081 -10.5100 0.0000 C 0 0 -6.6098 -11.2613 0.0000 N 0 0 -6.6113 -12.7613 0.0000 C 0 0 -5.5727 -13.3623 0.0000 O 0 0 -7.9111 -13.5100 0.0000 C 0 0 -5.3093 -10.5122 0.0000 C 0 0 -5.3069 -9.0114 0.0000 C 0 0 -4.0064 -8.2622 0.0000 C 0 0 -2.5541 -7.0564 0.0000 C 0 0 -1.5879 -5.9090 0.0000 C 0 0 -2.0984 -4.4986 0.0000 C 0 0 -3.5752 -4.2355 0.0000 C 0 0 -4.5414 -5.3828 0.0000 C 0 0 -4.0040 -6.7614 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 22 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 23 1 0 20 21 2 0 20 22 1 0 23 24 1 0 24 25 1 0 25 31 1 0 26 27 1 0 26 31 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 M CHG 1 31 1 M END > ZINC03816601 > 30 $$$$ SciTegic07110717492D 33 37 0 0 0 0 999 V2000 -10.0909 -5.7137 0.0000 C 0 0 -8.6649 -6.1731 0.0000 N 0 0 -8.1869 -7.5949 0.0000 C 0 0 -6.6870 -7.5797 0.0000 C 0 0 -6.2380 -6.1485 0.0000 N 0 0 -7.4602 -5.3010 0.0000 C 0 0 -7.4724 -3.8002 0.0000 C 0 0 -8.5166 -3.2090 0.0000 O 0 0 -6.1792 -3.0385 0.0000 N 0 0 -6.1914 -1.5377 0.0000 C 0 0 -7.4980 -0.8010 0.0000 C 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -4.9001 -0.7745 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.1277 -4.3539 0.0000 C 0 0 5.5962 -4.6599 0.0000 C 0 0 6.0655 -6.0846 0.0000 C 0 0 5.0663 -7.2034 0.0000 C 0 0 3.5978 -6.8975 0.0000 C 0 0 3.1285 -5.4728 0.0000 N 0 0 1 2 1 0 2 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 33 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 M END > ZINC04617981 > 31 $$$$