SciTegic07110717232D 14 15 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 S 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 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 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 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 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 11 13 1 0 M END > ZINC03814995 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 16 18 1 0 M END > ZINC03814933 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814839 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 9.0832 1.4888 0.0000 C 0 0 8.5716 0.4033 0.0000 O 0 0 7.0761 0.2776 0.0000 C 0 0 6.2225 1.5111 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 6.4347 -1.0784 0.0000 C 0 0 4.2991 -2.5581 0.0000 O 0 0 4.9821 -3.5447 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 15 2 0 11 12 1 0 12 13 1 0 13 19 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 21 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03814994 > 4 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -10.4041 -0.7684 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -3.9141 2.6966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814841 > 5 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.6321 1.3486 0.0000 N 0 0 1.2964 -2.6973 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -2.6120 -3.7568 0.0000 O 0 0 -2.6146 -4.9568 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 4 15 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 7 14 1 0 8 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 M END > ZINC03814847 > 6 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 6.3709 -3.8465 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.0935 0.0555 0.0000 O 0 0 8.2934 0.0632 0.0000 C 0 0 4.1334 -5.1654 0.0000 O 0 0 4.7430 -6.1990 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 12 1 0 8 9 2 0 9 10 1 0 9 11 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 22 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 22 23 1 0 M END > ZINC03814993 > 7 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 C 0 0 2.6003 -3.7467 0.0000 N 0 0 2.6034 -5.2475 0.0000 C 0 0 1.3067 -5.9966 0.0000 C 0 0 1.3173 -7.5095 0.0000 C 0 0 2.6147 -8.2565 0.0000 C 0 0 3.9106 -7.5064 0.0000 C 0 0 3.9090 -6.0093 0.0000 C 0 0 5.2080 -8.2534 0.0000 C 0 0 5.2095 -9.7504 0.0000 N 0 0 3.9137 -10.5005 0.0000 C 0 0 2.6163 -9.7535 0.0000 N 0 0 3.9150 -11.7005 0.0000 N 0 0 6.2465 -7.6522 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814861 > 8 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.3319 -0.7136 0.0000 C 0 0 -6.7986 -1.0405 0.0000 C 0 0 -7.5545 0.2474 0.0000 C 0 0 -6.5577 1.3616 0.0000 C 0 0 -7.0118 2.7954 0.0000 C 0 0 -8.5007 3.1000 0.0000 C 0 0 -9.4975 1.9858 0.0000 C 0 0 -9.0298 0.5398 0.0000 C 0 0 -10.0261 -0.5822 0.0000 O 0 0 -11.2017 -0.3417 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03814986 > 9 $$$$ SciTegic07110717232D 27 31 0 0 0 0 999 V2000 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 2.5978 -1.5002 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 0.0000 -1.5002 0.0000 N 0 0 0.0120 -3.0009 0.0000 C 0 0 1.3173 -3.7417 0.0000 C 0 0 2.6073 -2.9810 0.0000 C 0 0 3.9193 -3.7344 0.0000 N 0 0 3.9316 -5.2314 0.0000 C 0 0 2.6412 -5.9908 0.0000 C 0 0 1.3384 -5.2532 0.0000 N 0 0 2.6535 -7.4878 0.0000 C 0 0 3.9562 -8.2254 0.0000 N 0 0 5.2466 -7.4660 0.0000 C 0 0 5.2343 -5.9690 0.0000 N 0 0 6.2908 -8.0574 0.0000 N 0 0 1.6193 -8.0964 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 14 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 25 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03814848 > 10 $$$$ SciTegic07110717232D 28 32 0 0 0 0 999 V2000 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 3.3446 -1.7734 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -1.5712 -1.7423 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 0.8553 -2.8717 0.0000 C 0 0 -0.4519 -3.6092 0.0000 C 0 0 -1.7399 -2.8452 0.0000 C 0 0 -3.0539 -3.5951 0.0000 C 0 0 -3.0701 -5.0921 0.0000 C 0 0 -1.7816 -5.8548 0.0000 C 0 0 -0.4770 -5.1206 0.0000 N 0 0 -1.7978 -7.3518 0.0000 C 0 0 -3.1024 -8.0861 0.0000 N 0 0 -4.3909 -7.3233 0.0000 C 0 0 -4.3747 -5.8264 0.0000 N 0 0 -5.4365 -7.9120 0.0000 N 0 0 -0.7651 -7.9631 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 15 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 26 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC03814873 > 11 $$$$ SciTegic07110717232D 29 32 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8109 5.2433 0.0000 C 0 0 -6.5106 5.9912 0.0000 C 0 0 -6.5080 7.4912 0.0000 C 0 0 -7.8058 8.2434 0.0000 C 0 0 -9.1061 7.4956 0.0000 C 0 0 -9.1086 5.9956 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > ZINC03814968 > 12 $$$$ SciTegic07110717232D 30 33 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -10.4097 3.7432 0.0000 N 0 0 -10.5451 5.2243 0.0000 C 0 0 -12.0118 5.5387 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 29 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 24 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 29 30 1 0 M END > ZINC03814970 > 13 $$$$ SciTegic07110717232D 31 33 0 0 0 0 999 V2000 6.0509 6.0979 0.0000 C 0 0 5.5858 4.6718 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 3.1158 5.4773 0.0000 C 0 0 3.5808 6.9034 0.0000 C 0 0 5.0484 7.2137 0.0000 C 0 0 5.5108 8.6415 0.0000 C 0 0 6.6844 8.8918 0.0000 O 0 0 4.5061 9.7565 0.0000 N 0 0 4.9685 11.1843 0.0000 C 0 0 1 0 0 0 3.9639 12.2993 0.0000 C 0 0 4.4262 13.7272 0.0000 C 0 0 3.4216 14.8421 0.0000 C 0 0 3.7913 15.9838 0.0000 O 0 0 6.4357 11.5004 0.0000 C 0 0 6.8041 12.6424 0.0000 O 0 0 3.6500 2.9355 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.2480 14.5919 0.0000 O 0 5 7.2408 10.6105 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 17 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 10 9 1 1 10 11 1 0 10 15 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 30 1 0 15 16 2 0 15 31 1 0 17 18 1 0 18 19 1 0 19 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 29 1 0 25 26 2 0 26 27 1 0 26 28 1 0 M CHG 2 30 -1 31 -1 M END > ZINC03814990 > 14 $$$$