SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -5.9323 -3.1786 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 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 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 3.7889 0.0269 0.0000 C 0 0 2.0907 -2.3426 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 6 7 1 0 6 8 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815361 > 1 $$$$ SciTegic07110717232D 17 19 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC00118570 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 2.6035 8.2476 0.0000 C 0 0 3.9025 7.4976 0.0000 C 0 0 3.9025 5.9976 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 1.3044 5.9976 0.0000 C 0 0 1.3044 7.4976 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC00109589 > 3 $$$$ SciTegic07110717232D 18 19 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.6004 2.9949 0.0000 C 0 0 3.9020 3.7405 0.0000 C 0 0 3.9072 5.2405 0.0000 N 0 0 2.6108 5.9949 0.0000 C 0 0 1.3092 5.2494 0.0000 N 0 0 5.2008 2.9882 0.0000 N 0 0 6.5020 3.7360 0.0000 C 0 0 7.8007 2.9838 0.0000 C 0 0 8.8412 3.5817 0.0000 O 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 15 1 0 12 13 2 0 13 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 M END > ZINC03815083 > 4 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 5.5886 4.6654 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 6.9164 1.2263 0.0000 Cl 0 0 2.1812 2.6271 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 18 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815293 > 5 $$$$ SciTegic07110717232D 20 23 0 0 0 0 999 V2000 -6.4680 5.2061 0.0000 C 0 0 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -6.4347 3.7065 0.0000 C 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 16 2 0 8 9 1 0 9 13 2 0 9 10 1 0 10 20 1 0 10 11 2 0 11 12 1 0 11 17 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 1 0 18 19 1 0 19 20 1 0 M END > ZINC03815326 > 6 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1845 4.9616 0.0000 Cl 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 2.6973 0.0000 O 0 0 3.6321 -1.3486 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 17 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 20 1 0 14 15 2 0 15 16 1 0 15 19 1 0 16 17 1 0 17 18 2 0 M END > ZINC00007342 > 7 $$$$ SciTegic07110717232D 20 23 0 0 0 0 999 V2000 -7.0512 -4.7967 0.0000 C 0 0 -5.5802 -4.5033 0.0000 C 0 0 -5.0987 -3.0827 0.0000 C 0 0 -6.0884 -1.9554 0.0000 C 0 0 -7.5595 -2.2488 0.0000 C 0 0 -8.0409 -3.6695 0.0000 C 0 0 -8.3512 -1.3471 0.0000 Br 0 0 -3.6277 -2.7854 0.0000 N 0 0 -3.1485 -1.3659 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 -1.2039 0.3704 0.0000 C 0 0 0.3010 0.3704 0.0000 C 0 0 0.7408 -1.0186 0.0000 C 0 0 -0.4399 -1.9215 0.0000 S 0 0 2.2688 -1.0186 0.0000 N 0 0 2.7318 0.3704 0.0000 C 0 0 1.5048 1.2733 0.0000 S 0 0 -2.2225 1.5280 0.0000 N 0 0 -3.6810 1.1807 0.0000 C 0 0 -4.1672 0.0000 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 20 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 18 1 0 12 17 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815234 > 8 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC00006271 > 9 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 6.3572 -5.0843 0.0000 C 0 0 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -4.7428 1.4191 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 21 2 0 8 9 1 0 9 17 1 0 9 10 2 0 10 11 1 0 10 19 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 16 17 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815179 > 10 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -4.4966 -6.6127 0.0000 C 0 0 -3.2040 -5.8516 0.0000 C 0 0 -3.2167 -4.3517 0.0000 C 0 0 -4.5222 -3.6128 0.0000 C 0 0 -5.8148 -4.3738 0.0000 C 0 0 -5.8020 -5.8738 0.0000 C 0 0 -6.8591 -3.7827 0.0000 Br 0 0 -1.9251 -3.5874 0.0000 N 0 0 -1.9399 -2.0863 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -0.6588 0.1464 0.0000 C 0 0 -1.9399 0.8968 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 -3.2576 -1.3543 0.0000 N 0 0 0.9517 2.3608 0.0000 N 0 0 2.4524 2.5256 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 21 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 20 21 2 0 M END > ZINC03815322 > 11 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 3.7382 -8.0780 0.0000 C 0 0 5.0419 -7.3361 0.0000 C 0 0 5.0512 -5.8361 0.0000 C 0 0 3.7569 -5.0780 0.0000 C 0 0 2.4532 -5.8200 0.0000 C 0 0 2.4439 -7.3200 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC00327021 > 12 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -4.4973 5.4224 0.0000 C 0 0 -3.2046 4.6615 0.0000 C 0 0 -3.2171 3.1615 0.0000 C 0 0 -4.5225 2.4225 0.0000 C 0 0 -5.8152 3.1833 0.0000 C 0 0 -5.8026 4.6833 0.0000 C 0 0 -6.8594 2.5921 0.0000 Br 0 0 -1.9253 2.3975 0.0000 N 0 0 -1.9399 0.8968 0.0000 C 0 0 -0.6588 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 0.9517 2.3608 0.0000 N 0 0 2.4524 2.5256 0.0000 C 0 0 3.0746 1.1530 0.0000 C 0 0 -1.9399 -2.0863 0.0000 N 0 0 -3.2576 -1.3543 0.0000 C 0 0 -3.2576 0.1464 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 19 20 2 0 20 21 1 0 M END > ZINC03815093 > 13 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC01609260 > 14 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 0.0000 -1.5002 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 3.8968 0.7501 0.0000 N 0 0 3.8968 -0.7501 0.0000 C 0 0 2.5978 -1.5002 0.0000 N 0 0 2.6098 3.0009 0.0000 N 0 0 3.9150 3.7418 0.0000 C 0 0 5.2071 2.9797 0.0000 C 0 0 6.5131 3.7175 0.0000 C 0 0 6.5271 5.2174 0.0000 C 0 0 5.2351 5.9795 0.0000 C 0 0 3.9291 5.2417 0.0000 C 0 0 5.2464 7.1795 0.0000 Br 0 0 1 10 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 14 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815025 > 15 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 2 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 15 14 1 6 15 17 1 0 15 16 1 0 16 17 1 0 17 18 1 6 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC04617808 > 16 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 2.9980 0.0000 N 0 0 0.0955 3.8338 0.0000 C 0 0 0.5482 5.2667 0.0000 C 0 0 2.0415 5.2749 0.0000 C 0 0 2.5057 3.8538 0.0000 C 0 0 3.9739 3.5278 0.0000 C 0 0 4.9840 4.6632 0.0000 C 0 0 4.5198 6.0844 0.0000 C 0 0 3.0343 6.4047 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03815395 > 17 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 23 2 0 8 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 21 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 2 0 22 23 1 0 M END > ZINC00021592 > 18 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 3.9235 3.1222 0.0000 C 0 0 4.9401 4.2287 0.0000 C 0 0 4.2029 5.5275 0.0000 C 0 0 2.7395 5.2215 0.0000 C 0 0 1.7251 6.3319 0.0000 C 0 0 2.2060 7.7735 0.0000 C 0 0 3.6694 8.0795 0.0000 C 0 0 4.6875 6.9512 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC04617814 > 19 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 5.4439 -4.3516 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 12 2 0 8 9 1 0 9 16 2 0 9 10 1 0 10 11 1 0 10 13 2 0 11 12 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03815151 > 20 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8892 2.9867 0.0000 C 0 0 5.2152 3.7291 0.0000 C 0 0 5.2124 5.2331 0.0000 C 0 0 3.9242 5.9919 0.0000 C 0 0 2.6075 5.2651 0.0000 C 0 0 4.2533 7.4485 0.0000 C 0 0 5.7185 7.6011 0.0000 C 0 0 6.3269 6.2271 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC00018522 > 21 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 5.0663 -7.2034 0.0000 C 0 0 6.0655 -6.0846 0.0000 C 0 0 5.5962 -4.6599 0.0000 C 0 0 4.1277 -4.3539 0.0000 C 0 0 3.1285 -5.4728 0.0000 C 0 0 3.5978 -6.8975 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 13 2 0 9 10 1 0 10 17 2 0 10 11 1 0 11 12 1 0 11 14 2 0 12 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M END > ZINC03815160 > 22 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2.6059 5.2439 0.0000 C 0 0 1.3120 5.9968 0.0000 C 0 0 1.3082 7.5097 0.0000 C 0 0 2.6075 8.2538 0.0000 C 0 0 3.9105 7.4851 0.0000 C 0 0 3.9052 5.9880 0.0000 C 0 0 5.1991 5.2351 0.0000 C 0 0 5.1938 3.7381 0.0000 C 0 0 3.8946 2.9939 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 25 2 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815305 > 23 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -7.5317 3.6272 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.9086 1.5029 0.0000 N 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -6.4965 3.0203 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 24 1 0 2 3 1 0 2 24 1 0 3 4 1 0 4 5 1 0 7 4 1 1 5 6 1 0 6 24 1 0 7 8 1 0 7 25 1 0 9 8 1 4 9 15 1 0 9 10 1 0 10 11 1 4 10 12 1 0 11 25 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 4 17 16 1 6 17 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 6 M CHG 1 24 1 M END > ZINC03815157 > 24 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.9103 2.9924 0.0000 C 0 0 5.2101 3.7351 0.0000 C 0 0 6.5032 2.9806 0.0000 C 0 0 7.8030 3.7233 0.0000 C 0 0 7.8098 5.2206 0.0000 C 0 0 6.5168 5.9751 0.0000 C 0 0 5.2169 5.2324 0.0000 C 0 0 3.9239 5.9869 0.0000 C 0 0 2.6059 5.2442 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 25 2 0 16 17 1 0 17 18 2 0 18 23 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815371 > 25 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -2.2702 -8.2708 0.0000 C 0 0 -3.5736 -7.5284 0.0000 C 0 0 -3.5824 -6.0284 0.0000 C 0 0 -2.2878 -5.2708 0.0000 C 0 0 -0.9844 -6.0132 0.0000 C 0 0 -0.9756 -7.5132 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 5.9785 -5.7917 0.0000 Cl 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 25 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815403 > 26 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.6365 5.9928 0.0000 C 0 0 -4.9331 5.2385 0.0000 C 0 0 -4.9282 3.7385 0.0000 C 0 0 -3.6267 2.9927 0.0000 C 0 0 -2.3301 3.7470 0.0000 C 0 0 -2.3350 5.2470 0.0000 C 0 0 -3.6187 1.4919 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 N 0 0 -3.6267 -2.9927 0.0000 C 0 0 -2.3301 -3.7470 0.0000 C 0 0 -2.3350 -5.2470 0.0000 C 0 0 -3.6365 -5.9928 0.0000 C 0 0 -4.9331 -5.2385 0.0000 C 0 0 -4.9282 -3.7385 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 24 1 0 10 11 1 0 11 12 2 0 11 21 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 M END > ZINC00006094 > 27 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -3.9859 -6.1123 0.0000 C 0 0 -4.4443 -7.5405 0.0000 N 0 0 -5.9442 -7.5459 0.0000 C 0 0 -6.4129 -6.1210 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 26 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 24 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 24 25 2 0 25 26 1 0 M END > ZINC03815123 > 28 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 2 0 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 N 0 0 -7.8113 0.7426 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 26 1 0 14 13 1 6 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 20 19 1 1 20 25 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03815098 > 29 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.9438 -0.7410 0.0000 C 0 0 -9.4100 -1.0578 0.0000 N 0 0 -10.1643 0.2387 0.0000 C 0 0 -9.1644 1.3568 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 26 1 0 12 13 1 0 12 18 1 4 12 26 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 25 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M END > ZINC03815164 > 30 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC00838734 > 31 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -10.4041 -0.7684 0.0000 O 0 0 -9.1025 -1.5141 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -7.8109 0.7403 0.0000 N 0 3 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 26 1 0 12 13 1 0 12 18 1 4 12 26 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 27 1 0 21 22 1 0 21 27 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 27 1 0 M CHG 1 27 1 M END > ZINC03815128 > 32 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -6.4988 -6.0116 0.0000 C 0 0 -6.4935 -7.5116 0.0000 C 0 0 -5.1917 -8.2569 0.0000 O 0 0 -3.8954 -7.5022 0.0000 C 0 0 -3.9008 -6.0022 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -5.2025 -5.2568 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 26 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 24 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 27 1 0 19 20 1 0 19 27 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 27 1 0 24 25 2 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03815114 > 33 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -9.1121 1.4882 0.0000 N 0 0 -9.2498 2.9691 0.0000 C 0 0 -10.7170 3.2811 0.0000 C 0 0 -11.4671 1.9822 0.0000 N 0 0 -10.4636 0.8673 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 27 1 0 12 13 1 0 12 18 1 4 12 27 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > ZINC03815132 > 34 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5006 -6.0101 0.0000 N 0 0 -7.8521 -5.3892 0.0000 C 0 0 -8.8557 -6.5041 0.0000 C 0 0 -8.1055 -7.8030 0.0000 N 0 0 -6.6383 -7.4909 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 27 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 25 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 25 26 2 0 26 27 1 0 M END > ZINC03815113 > 35 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 -5.2030 3.7575 0.0000 C 0 0 -5.1976 5.2575 0.0000 C 0 0 -3.8958 6.0028 0.0000 C 0 0 -2.5995 5.2481 0.0000 C 0 0 -2.6050 3.7481 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 -2.5995 -5.2481 0.0000 C 0 0 -3.8958 -6.0028 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -3.8915 -7.2028 0.0000 F 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 2.6973 0.0000 O 0 0 -3.8915 7.2028 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 28 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 26 1 0 10 11 1 0 11 12 2 0 11 22 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 M END > ZINC00837641 > 36 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 6.2356 3.1342 0.0000 C 0 0 5.1985 3.7378 0.0000 C 0 0 2 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3 0 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -10.4113 0.7384 0.0000 C 0 0 -11.7103 1.4885 0.0000 C 0 0 -11.7101 2.9885 0.0000 O 0 0 -10.4110 3.7384 0.0000 C 0 0 -9.1120 2.9883 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -9.1121 1.4882 0.0000 N 0 3 2 1 1 1 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 27 1 0 14 13 1 4 13 27 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 28 1 0 22 23 1 0 22 28 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 28 1 0 M CHG 1 28 1 M END > ZINC03815109 > 37 $$$$ SciTegic07110717232D 28 32 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -4.4134 4.4543 0.0000 C 0 0 -5.8823 4.7583 0.0000 C 0 0 -6.8800 3.6382 0.0000 O 0 0 -6.4088 2.2141 0.0000 C 0 0 -4.9400 1.9101 0.0000 C 0 0 -3.9422 3.0302 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 21 1 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 28 1 0 23 24 1 0 23 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M CHG 1 28 1 M END > ZINC03815147 > 38 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -10.4113 0.7384 0.0000 C 0 0 -11.7103 1.4885 0.0000 C 0 0 -11.7101 2.9885 0.0000 O 0 0 -10.4110 3.7384 0.0000 C 0 0 -9.1120 2.9883 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -9.1121 1.4882 0.0000 N 0 3 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 27 1 0 12 13 1 0 12 18 1 4 12 27 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 28 1 0 22 23 1 0 22 28 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 28 1 0 M CHG 1 28 1 M END > ZINC03815178 > 39 $$$$ SciTegic07110717232D 32 36 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5005 -7.5101 0.0000 C 0 0 -7.7994 -8.2603 0.0000 C 0 0 -9.0986 -7.5105 0.0000 O 0 0 -9.0988 -6.0105 0.0000 C 0 0 -7.7999 -5.2603 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 2 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 -6.5006 -6.0101 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 21 1 0 5 6 1 0 6 7 2 0 6 18 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 32 1 0 13 14 1 0 13 32 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 32 1 0 18 19 2 0 18 22 1 0 19 20 1 0 20 21 2 0 23 22 1 1 23 25 1 0 23 24 1 0 24 25 1 0 25 26 1 6 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC04617805 > 40 $$$$