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 $$$$ SciTegic07110717392D 20 22 0 0 0 0 999 V2000 -5.2125 0.7617 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2995 2.9981 0.0000 O 0 0 3.8942 -1.4964 0.0000 O 0 0 -7.7897 3.7820 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 16 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 1 0 16 17 2 0 M END > ZINC00041692 > 1 $$$$ SciTegic07110717392D 21 23 0 0 0 0 999 V2000 -0.3252 6.8529 0.0000 C 0 0 -0.2192 5.3760 0.0000 C 0 0 1 0 0 0 1.0023 6.2419 0.0000 C 0 0 2.3733 5.6023 0.0000 C 0 0 2.5123 4.1117 0.0000 C 0 0 3.8728 3.4870 0.0000 C 0 0 4.0118 1.9964 0.0000 C 0 0 2.7903 1.1306 0.0000 C 0 0 1.4298 1.7553 0.0000 C 0 0 1.2908 3.2459 0.0000 C 0 0 2 0 0 0 -0.0697 3.8706 0.0000 C 0 0 1 0 0 0 -1.5420 4.0232 0.0000 C 0 0 -2.4530 2.8305 0.0000 C 0 0 -3.9415 3.0221 0.0000 C 0 0 2 0 0 0 -5.4040 3.2465 0.0000 C 0 0 -6.3135 2.0537 0.0000 C 0 0 2 0 0 0 -5.7353 0.6696 0.0000 C 0 0 -4.2475 0.4784 0.0000 C 0 0 -3.7849 -0.6289 0.0000 O 0 0 -3.3380 1.6712 0.0000 O 0 0 -6.8504 3.4333 0.0000 O 0 0 2 1 1 1 2 11 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 10 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 10 9 1 6 10 11 1 0 11 12 1 1 12 13 1 0 14 13 1 1 14 20 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 1 6 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03833887 > 2 $$$$ SciTegic07110717392D 22 24 0 0 0 0 999 V2000 -0.3252 6.8529 0.0000 C 0 0 -0.2192 5.3760 0.0000 C 0 0 1 0 0 0 1.0023 6.2419 0.0000 C 0 0 2.3733 5.6023 0.0000 C 0 0 2.5123 4.1117 0.0000 C 0 0 3.8728 3.4870 0.0000 C 0 0 4.0118 1.9964 0.0000 C 0 0 2.7903 1.1306 0.0000 C 0 0 1.4298 1.7553 0.0000 C 0 0 1 0 0 0 1.2908 3.2459 0.0000 C 0 0 2 0 0 0 -0.0697 3.8706 0.0000 C 0 0 1 0 0 0 -1.5420 4.0232 0.0000 C 0 0 -2.4530 2.8305 0.0000 C 0 0 -3.9415 3.0221 0.0000 C 0 0 2 0 0 0 -5.4040 3.2465 0.0000 C 0 0 -6.3135 2.0537 0.0000 C 0 0 2 0 0 0 -5.7353 0.6696 0.0000 C 0 0 -4.2475 0.4784 0.0000 C 0 0 -3.7849 -0.6289 0.0000 O 0 0 -3.3380 1.6712 0.0000 O 0 0 -6.8504 3.4333 0.0000 O 0 0 1.6036 0.2851 0.0000 O 0 0 2 1 1 1 2 11 1 0 2 3 1 0 3 4 2 0 4 5 1 0 10 5 1 6 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 22 1 6 10 11 1 0 11 12 1 1 12 13 1 0 14 13 1 1 14 20 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 1 6 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03833888 > 2 $$$$ SciTegic07110717392D 23 25 0 0 0 0 999 V2000 -5.2051 -2.8993 0.0000 C 0 0 -4.0254 -2.0044 0.0000 C 0 0 2 0 0 0 -2.8083 -1.1324 0.0000 C 0 0 -1.4341 -1.7652 0.0000 C 0 0 1 0 0 0 -1.2876 -3.2551 0.0000 C 0 0 2 0 0 0 0.0760 -3.8729 0.0000 C 0 0 1 0 0 0 0.2224 -5.3628 0.0000 C 0 0 2 0 0 0 -0.9947 -6.2348 0.0000 C 0 0 -2.3583 -5.6169 0.0000 C 0 0 -2.5048 -4.1270 0.0000 C 0 0 -3.8684 -3.5092 0.0000 C 0 0 0.3310 -6.8393 0.0000 C 0 0 1.5489 -4.0224 0.0000 C 0 0 2.4568 -2.8273 0.0000 C 0 0 3.9458 -3.0152 0.0000 C 0 0 2 0 0 0 5.4089 -3.2359 0.0000 C 0 0 6.3154 -2.0409 0.0000 C 0 0 2 0 0 0 5.7337 -0.6582 0.0000 C 0 0 4.2455 -0.4707 0.0000 C 0 0 3.7801 0.6354 0.0000 O 0 0 3.3389 -1.6658 0.0000 O 0 0 6.8558 -3.4192 0.0000 O 0 0 -1.6111 -0.2956 0.0000 O 0 0 2 1 1 6 2 11 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 23 1 6 5 10 1 6 5 6 1 0 6 7 1 0 6 13 1 6 7 8 1 0 7 12 1 1 8 9 2 0 9 10 1 0 10 11 2 0 13 14 1 0 15 14 1 1 15 21 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 22 1 6 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03833882 > 2 $$$$ SciTegic07110717392D 28 30 0 0 0 0 999 V2000 1.8195 -0.5818 0.0000 C 0 0 0.4245 -1.1354 0.0000 C 0 0 -0.7530 -0.2048 0.0000 C 0 0 1 0 0 0 -0.9760 -1.7184 0.0000 C 0 0 -0.5367 1.2804 0.0000 C 0 0 0.5782 1.7240 0.0000 O 0 0 -1.7142 2.2110 0.0000 O 0 0 -1.5371 3.6806 0.0000 C 0 0 1 0 0 0 -3.0449 3.5560 0.0000 C 0 0 -3.8904 4.7917 0.0000 C 0 0 -3.2282 6.1520 0.0000 C 0 0 -1.7355 6.2662 0.0000 C 0 0 -0.8900 5.0305 0.0000 C 0 0 2 0 0 0 0.6027 5.1448 0.0000 C 0 0 1 0 0 0 1.2499 6.4947 0.0000 C 0 0 1 0 0 0 0.4044 7.7304 0.0000 C 0 0 -1.0883 7.6162 0.0000 C 0 0 1.8569 7.8450 0.0000 C 0 0 2.0379 4.7814 0.0000 C 0 0 2.4824 3.3479 0.0000 C 0 0 3.9458 3.0152 0.0000 C 0 0 1 0 0 0 5.4089 3.2359 0.0000 C 0 0 6.3154 2.0409 0.0000 C 0 0 2 0 0 0 5.7337 0.6582 0.0000 C 0 0 4.2455 0.4707 0.0000 C 0 0 3.7801 -0.6354 0.0000 O 0 0 3.3389 1.6658 0.0000 O 0 0 6.8558 3.4192 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 1 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 17 1 0 13 12 1 6 13 14 1 0 14 15 1 0 14 19 1 1 15 16 1 0 15 18 1 1 16 17 2 0 19 20 1 0 21 20 1 1 21 27 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 28 1 1 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC01320014 > 2 $$$$ SciTegic07110717392D 28 30 0 0 0 0 999 V2000 1.8195 -0.5818 0.0000 C 0 0 0.4245 -1.1354 0.0000 C 0 0 -0.7530 -0.2048 0.0000 C 0 0 2 0 0 0 -0.9760 -1.7184 0.0000 C 0 0 -0.5367 1.2804 0.0000 C 0 0 0.5782 1.7240 0.0000 O 0 0 -1.7142 2.2110 0.0000 O 0 0 -1.5371 3.6806 0.0000 C 0 0 1 0 0 0 -3.0449 3.5560 0.0000 C 0 0 -3.8904 4.7917 0.0000 C 0 0 -3.2282 6.1520 0.0000 C 0 0 -1.7355 6.2662 0.0000 C 0 0 -0.8900 5.0305 0.0000 C 0 0 1 0 0 0 0.6027 5.1448 0.0000 C 0 0 2 0 0 0 1.2499 6.4947 0.0000 C 0 0 2 0 0 0 0.4044 7.7304 0.0000 C 0 0 -1.0883 7.6162 0.0000 C 0 0 1.8569 7.8450 0.0000 C 0 0 2.0379 4.7814 0.0000 C 0 0 2.4824 3.3479 0.0000 C 0 0 3.9458 3.0152 0.0000 C 0 0 2 0 0 0 5.4089 3.2359 0.0000 C 0 0 6.3154 2.0409 0.0000 C 0 0 2 0 0 0 5.7337 0.6582 0.0000 C 0 0 4.2455 0.4707 0.0000 C 0 0 3.7801 -0.6354 0.0000 O 0 0 3.3389 1.6658 0.0000 O 0 0 6.8558 3.4192 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 6 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 1 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 17 1 0 13 12 1 1 13 14 1 0 14 15 1 0 14 19 1 6 15 16 1 0 15 18 1 6 16 17 2 0 19 20 1 0 21 20 1 6 21 27 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 28 1 1 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC03833876 > 2 $$$$ SciTegic07110717392D 29 31 0 0 0 0 999 V2000 1.3388 9.1201 0.0000 C 0 0 0.0047 9.8075 0.0000 C 0 0 -1.2582 8.9967 0.0000 C 0 0 2 0 0 0 -1.3320 10.5249 0.0000 C 0 0 -1.1884 7.4975 0.0000 C 0 0 -0.1223 6.9468 0.0000 O 0 0 -2.4514 6.6866 0.0000 O 0 0 -2.4190 5.2068 0.0000 C 0 0 1 0 0 0 -3.9073 5.4783 0.0000 C 0 0 -4.8698 4.3313 0.0000 C 0 0 2 0 0 0 -4.3439 2.9128 0.0000 C 0 0 -2.8695 2.6530 0.0000 C 0 0 -1.9071 3.7999 0.0000 C 0 0 1 0 0 0 -0.4328 3.5401 0.0000 C 0 0 2 0 0 0 0.0791 2.1333 0.0000 C 0 0 2 0 0 0 -0.8833 0.9863 0.0000 C 0 0 -2.3576 1.2461 0.0000 C 0 0 0.5510 0.7301 0.0000 C 0 0 1.0311 3.7612 0.0000 C 0 0 2.0517 4.8616 0.0000 C 0 0 3.5151 4.5289 0.0000 C 0 0 2 0 0 0 4.8144 5.2367 0.0000 C 0 0 6.0750 4.4237 0.0000 C 0 0 2 0 0 0 6.0013 2.9255 0.0000 C 0 0 4.6669 2.2403 0.0000 C 0 0 4.6079 1.0418 0.0000 O 0 0 3.4063 3.0533 0.0000 O 0 0 6.1114 5.9037 0.0000 O 0 0 -5.7901 3.1715 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 29 1 6 11 12 2 0 12 17 1 0 13 12 1 6 13 14 1 0 14 15 1 0 14 19 1 1 15 16 1 0 15 18 1 1 16 17 2 0 19 20 1 0 21 20 1 6 21 27 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 28 1 1 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC03812841 > 2 $$$$ SciTegic07110717392D 29 31 0 0 0 0 999 V2000 1.3388 9.1201 0.0000 C 0 0 0.0047 9.8075 0.0000 C 0 0 -1.2582 8.9967 0.0000 C 0 0 1 0 0 0 -1.3320 10.5249 0.0000 C 0 0 -1.1884 7.4975 0.0000 C 0 0 -0.1223 6.9468 0.0000 O 0 0 -2.4514 6.6866 0.0000 O 0 0 -2.4190 5.2068 0.0000 C 0 0 2 0 0 0 -3.9073 5.4783 0.0000 C 0 0 -4.8698 4.3313 0.0000 C 0 0 2 0 0 0 -4.3439 2.9128 0.0000 C 0 0 -2.8695 2.6530 0.0000 C 0 0 -1.9071 3.7999 0.0000 C 0 0 1 0 0 0 -0.4328 3.5401 0.0000 C 0 0 2 0 0 0 0.0791 2.1333 0.0000 C 0 0 2 0 0 0 -0.8833 0.9863 0.0000 C 0 0 -2.3576 1.2461 0.0000 C 0 0 0.5510 0.7301 0.0000 C 0 0 1.0311 3.7612 0.0000 C 0 0 2.0517 4.8616 0.0000 C 0 0 3.5151 4.5289 0.0000 C 0 0 2 0 0 0 4.8144 5.2367 0.0000 C 0 0 6.0750 4.4237 0.0000 C 0 0 2 0 0 0 6.0013 2.9255 0.0000 C 0 0 4.6669 2.2403 0.0000 C 0 0 4.6079 1.0418 0.0000 O 0 0 3.4063 3.0533 0.0000 O 0 0 6.1114 5.9037 0.0000 O 0 0 -5.7901 3.1715 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 6 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 1 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 29 1 6 11 12 2 0 12 17 1 0 13 12 1 6 13 14 1 0 14 15 1 0 14 19 1 1 15 16 1 0 15 18 1 1 16 17 2 0 19 20 1 0 21 20 1 6 21 27 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 28 1 1 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC03833873 > 2 $$$$ SciTegic07110717392D 29 31 0 0 0 0 999 V2000 -4.1396 0.1611 0.0000 C 0 0 -2.7250 0.5985 0.0000 C 0 0 2 0 0 0 -1.2830 1.0016 0.0000 C 0 0 -0.2081 -0.0630 0.0000 C 0 0 1 0 0 0 -0.5800 -1.5131 0.0000 C 0 0 1 0 0 0 0.4900 -2.5601 0.0000 C 0 0 2 0 0 0 0.1180 -4.0102 0.0000 C 0 0 1 0 0 0 -1.3240 -4.4133 0.0000 C 0 0 -2.3940 -3.3663 0.0000 C 0 0 -2.0220 -1.9162 0.0000 C 0 0 -3.0921 -0.8692 0.0000 C 0 0 -0.2849 -5.4347 0.0000 C 0 0 1.8229 -3.2042 0.0000 C 0 0 3.2866 -2.8724 0.0000 C 0 0 4.3065 -3.9735 0.0000 C 0 0 1 0 0 0 5.6058 -4.6813 0.0000 C 0 0 6.8664 -3.8683 0.0000 C 0 0 1 0 0 0 6.7927 -2.3701 0.0000 C 0 0 5.4583 -1.6849 0.0000 C 0 0 5.3993 -0.4863 0.0000 O 0 0 4.1977 -2.4979 0.0000 O 0 0 6.9028 -5.3483 0.0000 O 0 0 0.6009 1.1767 0.0000 O 0 0 2.1011 1.1327 0.0000 C 0 0 2.6700 0.0761 0.0000 O 0 0 2.8901 2.4094 0.0000 C 0 0 4.3903 2.3654 0.0000 C 0 0 1 0 0 0 5.1031 1.0446 0.0000 C 0 0 3.6609 3.7103 0.0000 O 0 0 2 1 1 6 2 11 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 23 1 6 5 10 1 1 5 6 1 0 6 7 1 0 6 13 1 1 7 8 1 0 7 12 1 6 8 9 2 0 9 10 1 0 10 11 2 0 13 14 1 0 15 14 1 6 15 21 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 22 1 1 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 6 27 29 1 0 M END > ZINC03833879 > 2 $$$$ SciTegic07110717392D 29 31 0 0 0 0 999 V2000 1.8195 -0.5818 0.0000 C 0 0 0.4245 -1.1354 0.0000 C 0 0 -0.7530 -0.2048 0.0000 C 0 0 1 0 0 0 -0.9760 -1.7184 0.0000 C 0 0 -0.5367 1.2804 0.0000 C 0 0 0.5782 1.7240 0.0000 O 0 0 -1.7142 2.2110 0.0000 O 0 0 -1.5371 3.6806 0.0000 C 0 0 2 0 0 0 -3.0449 3.5560 0.0000 C 0 0 -3.8904 4.7917 0.0000 C 0 0 -3.2282 6.1520 0.0000 C 0 0 -1.7355 6.2662 0.0000 C 0 0 -1.0883 7.6162 0.0000 C 0 0 0.4044 7.7304 0.0000 C 0 0 1 0 0 0 1.2499 6.4947 0.0000 C 0 0 1 0 0 0 0.6027 5.1448 0.0000 C 0 0 1 0 0 0 -0.8900 5.0305 0.0000 C 0 0 1 0 0 0 2.0379 4.7814 0.0000 C 0 0 2.4824 3.3479 0.0000 C 0 0 3.9458 3.0152 0.0000 C 0 0 2 0 0 0 5.4089 3.2359 0.0000 C 0 0 6.3154 2.0409 0.0000 C 0 0 2 0 0 0 5.7337 0.6582 0.0000 C 0 0 4.2455 0.4707 0.0000 C 0 0 3.7801 -0.6354 0.0000 O 0 0 3.3389 1.6658 0.0000 O 0 0 6.8558 3.4192 0.0000 O 0 0 1.8569 7.8450 0.0000 C 0 0 -0.4614 8.9313 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 17 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 17 12 1 1 12 13 2 0 13 14 1 0 14 15 1 0 14 29 1 6 15 16 1 0 15 28 1 6 16 17 1 0 16 18 1 6 18 19 1 0 20 19 1 6 20 26 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 27 1 1 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03833883 > 2 $$$$ SciTegic07110717392D 29 31 0 0 0 0 999 V2000 1.3388 9.1201 0.0000 C 0 0 0.0047 9.8075 0.0000 C 0 0 -1.2582 8.9967 0.0000 C 0 0 2 0 0 0 -1.3320 10.5249 0.0000 C 0 0 -1.1884 7.4975 0.0000 C 0 0 -0.1223 6.9468 0.0000 O 0 0 -2.4514 6.6866 0.0000 O 0 0 -2.4190 5.2068 0.0000 C 0 0 1 0 0 0 -3.9073 5.4783 0.0000 C 0 0 -4.8698 4.3313 0.0000 C 0 0 2 0 0 0 -4.3439 2.9128 0.0000 C 0 0 -2.8695 2.6530 0.0000 C 0 0 -1.9071 3.7999 0.0000 C 0 0 1 0 0 0 -0.4328 3.5401 0.0000 C 0 0 2 0 0 0 0.0791 2.1333 0.0000 C 0 0 2 0 0 0 -0.8833 0.9863 0.0000 C 0 0 -2.3576 1.2461 0.0000 C 0 0 0.5510 0.7301 0.0000 C 0 0 1.0311 3.7612 0.0000 C 0 0 2.0517 4.8616 0.0000 C 0 0 3.5151 4.5289 0.0000 C 0 0 1 0 0 0 4.8144 5.2367 0.0000 C 0 0 6.0750 4.4237 0.0000 C 0 0 1 0 0 0 6.0013 2.9255 0.0000 C 0 0 4.6669 2.2403 0.0000 C 0 0 4.6079 1.0418 0.0000 O 0 0 3.4063 3.0533 0.0000 O 0 0 6.1114 5.9037 0.0000 O 0 0 -5.7901 3.1715 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 29 1 6 11 12 2 0 12 17 1 0 13 12 1 6 13 14 1 0 14 15 1 0 14 19 1 1 15 16 1 0 15 18 1 1 16 17 2 0 19 20 1 0 21 20 1 1 21 27 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 28 1 6 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC03833890 > 2 $$$$ SciTegic07110717392D 30 32 0 0 0 0 999 V2000 -4.7647 -0.0708 0.0000 C 0 0 -4.2965 -1.4755 0.0000 C 0 0 2 0 0 0 -3.7844 -2.8824 0.0000 C 0 0 -2.2930 -3.1363 0.0000 C 0 0 2 0 0 0 -1.3308 -1.9894 0.0000 C 0 0 1 0 0 0 0.1435 -2.2495 0.0000 C 0 0 2 0 0 0 1.1057 -1.1026 0.0000 C 0 0 2 0 0 0 0.5936 0.3044 0.0000 C 0 0 -0.8807 0.5645 0.0000 C 0 0 -1.8429 -0.5824 0.0000 C 0 0 -3.3172 -0.3223 0.0000 C 0 0 2.0290 0.0546 0.0000 C 0 0 1.4434 -2.9579 0.0000 C 0 0 2.0261 -4.3410 0.0000 C 0 0 3.5151 -4.5289 0.0000 C 0 0 1 0 0 0 4.8144 -5.2367 0.0000 C 0 0 6.0750 -4.4237 0.0000 C 0 0 1 0 0 0 6.0013 -2.9255 0.0000 C 0 0 4.6669 -2.2403 0.0000 C 0 0 4.6079 -1.0418 0.0000 O 0 0 3.4063 -3.0533 0.0000 O 0 0 6.1114 -5.9037 0.0000 O 0 0 -2.8295 -4.5158 0.0000 O 0 0 -1.9201 -5.7097 0.0000 C 0 0 -0.7299 -5.5569 0.0000 O 0 0 -1.9899 -7.2089 0.0000 C 0 0 1 0 0 0 -3.2788 -6.3846 0.0000 C 0 0 -0.7270 -8.0198 0.0000 C 0 0 0.3392 -7.4691 0.0000 O 0 0 -0.7968 -9.5190 0.0000 C 0 0 2 1 1 1 2 11 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 23 1 6 5 10 1 6 5 6 1 0 6 7 1 0 6 13 1 6 7 8 1 0 7 12 1 6 8 9 2 0 9 10 1 0 10 11 2 0 13 14 1 0 15 14 1 6 15 21 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 22 1 1 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 6 26 28 1 0 28 29 2 0 28 30 1 0 M END > ZINC03833878 > 2 $$$$ SciTegic07110717392D 31 33 0 0 0 0 999 V2000 1.8195 -0.5818 0.0000 C 0 0 0.4245 -1.1354 0.0000 C 0 0 -0.7530 -0.2048 0.0000 C 0 0 2 0 0 0 -2.1474 -0.7596 0.0000 C 0 0 -0.9760 -1.7184 0.0000 C 0 0 -0.5367 1.2804 0.0000 C 0 0 0.5782 1.7240 0.0000 O 0 0 -1.7142 2.2110 0.0000 O 0 0 -1.5371 3.6806 0.0000 C 0 0 1 0 0 0 -3.0449 3.5560 0.0000 C 0 0 -3.8904 4.7917 0.0000 C 0 0 2 0 0 0 -3.2282 6.1520 0.0000 C 0 0 -1.7355 6.2662 0.0000 C 0 0 -0.8900 5.0305 0.0000 C 0 0 2 0 0 0 0.6027 5.1448 0.0000 C 0 0 1 0 0 0 1.2499 6.4947 0.0000 C 0 0 1 0 0 0 0.4044 7.7304 0.0000 C 0 0 -1.0883 7.6162 0.0000 C 0 0 1.8569 7.8450 0.0000 C 0 0 2.0379 4.7814 0.0000 C 0 0 2.4824 3.3479 0.0000 C 0 0 3.9458 3.0152 0.0000 C 0 0 2 0 0 0 5.4089 3.2359 0.0000 C 0 0 6.3154 2.0409 0.0000 C 0 0 2 0 0 0 5.7337 0.6582 0.0000 C 0 0 4.2455 0.4707 0.0000 C 0 0 3.7801 -0.6354 0.0000 O 0 0 3.3389 1.6658 0.0000 O 0 0 6.8558 3.4192 0.0000 O 0 0 -5.0700 5.6866 0.0000 C 0 0 -6.4674 5.1392 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 6 6 7 2 0 6 8 1 0 9 8 1 1 9 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 30 1 1 12 13 2 0 13 18 1 0 14 13 1 6 14 15 1 0 15 16 1 0 15 20 1 1 16 17 1 0 16 19 1 1 17 18 2 0 20 21 1 0 22 21 1 6 22 28 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 29 1 1 25 26 1 0 26 27 2 0 26 28 1 0 30 31 1 0 M END > ZINC03833886 > 2 $$$$ SciTegic07110717392D 31 33 0 0 0 0 999 V2000 1.8195 -0.5818 0.0000 C 0 0 0.4245 -1.1354 0.0000 C 0 0 -0.7530 -0.2048 0.0000 C 0 0 2 0 0 0 -2.1474 -0.7596 0.0000 C 0 0 -0.9760 -1.7184 0.0000 C 0 0 -0.5367 1.2804 0.0000 C 0 0 0.5782 1.7240 0.0000 O 0 0 -1.7142 2.2110 0.0000 O 0 0 -1.5371 3.6806 0.0000 C 0 0 1 0 0 0 -3.0449 3.5560 0.0000 C 0 0 -3.8904 4.7917 0.0000 C 0 0 -3.2282 6.1520 0.0000 C 0 0 -1.7355 6.2662 0.0000 C 0 0 -1.0883 7.6162 0.0000 C 0 0 0.4044 7.7304 0.0000 C 0 0 0.9233 8.8124 0.0000 O 0 0 1.2499 6.4947 0.0000 C 0 0 2 0 0 0 0.6027 5.1448 0.0000 C 0 0 2 0 0 0 -0.8900 5.0305 0.0000 C 0 0 2 0 0 0 2.0379 4.7814 0.0000 C 0 0 2.4824 3.3479 0.0000 C 0 0 3.9458 3.0152 0.0000 C 0 0 2 0 0 0 5.4089 3.2359 0.0000 C 0 0 6.3154 2.0409 0.0000 C 0 0 2 0 0 0 5.7337 0.6582 0.0000 C 0 0 4.2455 0.4707 0.0000 C 0 0 3.7801 -0.6354 0.0000 O 0 0 3.3389 1.6658 0.0000 O 0 0 6.8558 3.4192 0.0000 O 0 0 1.8569 7.8450 0.0000 C 0 0 -5.3868 4.6774 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 6 6 7 2 0 6 8 1 0 9 8 1 1 9 19 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 31 1 0 12 13 1 0 19 13 1 6 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 30 1 1 18 19 1 0 18 20 1 1 20 21 1 0 22 21 1 6 22 28 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 29 1 1 25 26 1 0 26 27 2 0 26 28 1 0 M END > ZINC03833881 > 2 $$$$ SciTegic07110717392D 29 30 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 2 0 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8563 -0.0230 0.0000 C 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 2 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 17 1 0 13 12 1 6 13 14 1 0 14 15 1 0 14 19 1 1 15 16 1 0 15 18 1 1 16 17 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 28 1 6 22 23 1 0 23 24 1 0 23 27 1 6 24 25 1 0 25 26 2 0 25 29 1 0 M CHG 1 29 -1 M END > ZINC04134477 > 3 $$$$ SciTegic07110717392D 30 31 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 2 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 3.8563 -0.0230 0.0000 C 0 0 2.5565 -2.2286 0.0000 O 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 17 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 17 12 1 6 12 13 2 0 13 14 1 0 14 15 1 0 14 29 1 6 15 16 1 0 15 28 1 1 16 17 1 0 16 18 1 1 18 19 1 0 19 20 1 0 20 21 1 0 20 27 1 6 21 22 1 0 22 23 1 0 22 26 1 6 23 24 1 0 24 25 2 0 24 30 1 0 M CHG 1 30 -1 M END > ZINC04134475 > 3 $$$$ SciTegic07110717392D 30 31 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1 0 0 0 2.5929 0.7486 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 2 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 3.8563 -0.0230 0.0000 C 0 0 2.5565 -2.2286 0.0000 O 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 17 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 17 12 1 6 12 13 2 0 13 14 1 0 14 15 1 0 14 29 1 1 15 16 1 0 15 28 1 1 16 17 1 0 16 18 1 1 18 19 1 0 19 20 1 0 20 21 1 0 20 27 1 6 21 22 1 0 22 23 1 0 22 26 1 6 23 24 1 0 24 25 2 0 24 30 1 0 M CHG 1 30 -1 M END > ZINC04134474 > 3 $$$$ SciTegic07110717392D 30 31 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 2 0 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8563 -0.0230 0.0000 C 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 2 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 -2.5706 -2.2287 0.0000 C 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 29 1 6 11 12 2 0 12 17 1 0 13 12 1 6 13 14 1 0 14 15 1 0 14 19 1 1 15 16 1 0 15 18 1 1 16 17 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 28 1 6 22 23 1 0 23 24 1 0 23 27 1 6 24 25 1 0 25 26 2 0 25 30 1 0 M CHG 1 30 -1 M END > ZINC04134473 > 3 $$$$ SciTegic07110717392D 30 31 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 1 0 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5929 0.7486 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8563 -0.0230 0.0000 C 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 2 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 1 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 -2.5706 -2.2287 0.0000 O 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 6 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 29 1 1 11 12 2 0 12 17 1 0 13 12 1 1 13 14 1 0 14 15 1 0 14 19 1 6 15 16 1 0 15 18 1 6 16 17 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 28 1 6 22 23 1 0 23 24 1 0 23 27 1 1 24 25 1 0 25 26 2 0 25 30 1 0 M CHG 1 30 -1 M END > ZINC04134472 > 3 $$$$ SciTegic07110717392D 30 31 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 2 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 C 0 0 2 0 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 1 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 3.8563 -0.0230 0.0000 C 0 0 2.5565 -2.2286 0.0000 O 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 1 8 17 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 17 12 1 6 12 13 2 0 13 14 1 0 14 15 1 0 14 29 1 6 15 16 1 0 15 28 1 6 16 17 1 0 16 18 1 6 18 19 1 0 19 20 1 0 20 21 1 0 20 27 1 1 21 22 1 0 22 23 1 0 22 26 1 6 23 24 1 0 24 25 2 0 24 30 1 0 M CHG 1 30 -1 M END > ZINC03833889 > 3 $$$$ SciTegic07110717392D 30 31 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 2 0 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8563 -0.0230 0.0000 C 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 2 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 -2.5706 -2.2287 0.0000 O 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 29 1 1 11 12 2 0 12 17 1 0 13 12 1 6 13 14 1 0 14 15 1 0 14 19 1 1 15 16 1 0 15 18 1 1 16 17 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 28 1 6 22 23 1 0 23 24 1 0 23 27 1 6 24 25 1 0 25 26 2 0 25 30 1 0 M CHG 1 30 -1 M END > ZINC03798763 > 3 $$$$ SciTegic07110717392D 31 32 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -4.3075 4.8171 0.0000 C 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 2 0 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8563 -0.0230 0.0000 C 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 2 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 -2.5706 -2.2287 0.0000 C 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 1 6 7 2 0 6 8 1 0 9 8 1 6 9 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 30 1 6 12 13 2 0 13 18 1 0 14 13 1 6 14 15 1 0 15 16 1 0 15 20 1 1 16 17 1 0 16 19 1 1 17 18 2 0 20 21 1 0 21 22 1 0 22 23 1 0 22 29 1 6 23 24 1 0 24 25 1 0 24 28 1 6 25 26 1 0 26 27 2 0 26 31 1 0 M CHG 1 31 -1 M END > ZINC03833877 > 3 $$$$ SciTegic07110717392D 31 32 0 0 0 0 999 V2000 -0.9332 6.9105 0.0000 C 0 0 -2.3971 6.5796 0.0000 C 0 0 -2.8433 5.1467 0.0000 C 0 0 2 0 0 0 -4.3075 4.8171 0.0000 C 0 0 -3.8822 6.2699 0.0000 C 0 0 -1.8262 4.0431 0.0000 C 0 0 -0.6555 4.3066 0.0000 O 0 0 -2.2725 2.6101 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 2 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5929 0.7486 0.0000 C 0 0 2 0 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8563 -0.0230 0.0000 C 0 0 2.2757 2.6076 0.0000 C 0 0 1.8330 4.0417 0.0000 C 0 0 2.8529 5.1427 0.0000 C 0 0 1 0 0 0 2.4102 6.5767 0.0000 C 0 0 3.4301 7.6778 0.0000 C 0 0 2 0 0 0 2.9875 9.1118 0.0000 C 0 0 4.0074 10.2129 0.0000 C 0 0 3.6534 11.3595 0.0000 O 0 0 4.8934 7.3446 0.0000 O 0 0 4.3162 4.8095 0.0000 O 0 0 -2.5706 -2.2287 0.0000 C 0 0 5.1774 9.9465 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 1 6 7 2 0 6 8 1 0 9 8 1 1 9 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 30 1 6 12 13 2 0 13 18 1 0 14 13 1 6 14 15 1 0 15 16 1 0 15 20 1 6 16 17 1 0 16 19 1 1 17 18 2 0 20 21 1 0 21 22 1 0 22 23 1 0 22 29 1 1 23 24 1 0 24 25 1 0 24 28 1 6 25 26 1 0 26 27 2 0 26 31 1 0 M CHG 1 31 -1 M END > ZINC03833875 > 3 $$$$ SciTegic07110717392D 30 32 0 0 0 0 999 V2000 3.6464 2.9395 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1 0 0 0 1.1749 3.7441 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 1 0 0 0 7.0904 0.0600 0.0000 C 0 0 8.5912 0.0740 0.0000 C 0 0 1 0 0 0 9.3545 -1.2183 0.0000 C 0 0 10.8552 -1.2043 0.0000 C 0 0 11.4655 -2.2375 0.0000 O 0 0 7.8104 1.3897 0.0000 O 0 0 5.5952 -2.5763 0.0000 O 0 0 1.6694 -2.7034 0.0000 C 0 0 0.2951 -3.3087 0.0000 C 0 0 0.1370 -4.8003 0.0000 C 0 0 1.3498 -5.6830 0.0000 C 0 0 2.7206 -5.0741 0.0000 C 0 0 2.8787 -3.5824 0.0000 C 0 0 1.2234 -6.8763 0.0000 F 0 0 11.4452 -0.1593 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 4 1 0 4 12 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 22 1 1 16 17 1 0 17 18 1 0 17 21 1 6 18 19 1 0 19 20 2 0 19 30 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 M CHG 1 30 -1 M END > ZINC01530640 > 4 $$$$