SciTegic07110717312D 21 23 0 0 0 0 999 V2000 -2.6917 2.5394 0.0000 C 0 0 -3.2930 3.9082 0.0000 C 0 0 -2.3991 5.1373 0.0000 C 0 0 -0.9060 4.9568 0.0000 C 0 0 -0.3047 3.5881 0.0000 C 0 0 -1.1819 2.3663 0.0000 C 0 0 1.1806 3.7427 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.7388 1.9224 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 4.2449 4.2986 0.0000 N 0 0 4.5642 0.4344 0.0000 C 0 0 3.1861 -0.1601 0.0000 C 0 0 3.0111 -1.6507 0.0000 C 0 0 1.9092 -2.1261 0.0000 O 0 0 1.5052 5.1797 0.0000 C 0 0 2.6073 5.6544 0.0000 O 0 0 0.2127 5.9461 0.0000 N 0 0 3.9734 -2.3675 0.0000 O 0 5 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 8 2 0 7 18 1 0 8 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 14 1 0 11 12 2 0 12 13 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 18 19 2 0 18 20 1 0 M CHG 1 21 -1 M END > ZINC03815484 > 1 $$$$ SciTegic07110717312D 22 24 0 0 0 0 999 V2000 -3.9069 6.0022 0.0000 C 0 0 -5.2072 5.2527 0.0000 O 0 0 -5.2092 3.7519 0.0000 C 0 0 3 0 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 1 0 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 1 0 0 0 -6.5078 3.0010 0.0000 C 0 0 -7.8044 0.7470 0.0000 O 0 0 -7.8012 -0.7539 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 2 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 3 0 0 0 -3.9091 -1.5019 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 -1.2964 -1.4973 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 8 1 0 3 4 1 0 5 4 1 6 5 6 1 0 5 11 1 0 6 7 1 0 7 8 1 0 7 9 1 6 9 10 1 0 11 19 1 0 11 12 1 4 13 12 1 4 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 1 6 18 17 1 6 18 22 1 0 19 20 1 4 19 22 1 0 M END > ZINC03815528 > 2 $$$$ SciTegic07110717312D 23 26 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 C 0 0 -3.6251 -2.6919 0.0000 O 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 -4.6549 -0.8867 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 22 1 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 23 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 2 0 20 22 1 0 M CHG 1 23 -1 M END > ZINC03815543 > 3 $$$$ SciTegic07110717312D 27 30 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC00838734 > 4 $$$$ SciTegic07110717312D 27 30 0 0 0 0 999 V2000 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2063 -0.4481 0.0000 Cl 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -1.2876 -2.9981 0.0000 C 0 0 -2.5825 -3.7569 0.0000 C 0 0 -3.8863 -3.0153 0.0000 C 0 0 -5.1805 -3.7737 0.0000 C 0 0 -5.1708 -5.2736 0.0000 N 0 0 -3.8670 -6.0152 0.0000 C 0 0 -2.5728 -5.2569 0.0000 C 0 0 3.8911 -1.5017 0.0000 N 0 0 -2.8709 3.6035 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 27 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 8 17 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 19 1 0 17 18 2 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815564 > 5 $$$$ SciTegic07110717312D 28 31 0 0 0 0 999 V2000 0.0161 3.7416 0.0000 C 0 0 -1.2876 2.9981 0.0000 C 0 0 1 0 0 0 -2.5830 3.7558 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8942 1.4964 0.0000 N 0 0 5.1929 0.7441 0.0000 C 0 0 5.1877 -0.7559 0.0000 C 0 0 6.4842 -1.5104 0.0000 C 0 0 7.7858 -0.7649 0.0000 C 0 0 7.7910 0.7351 0.0000 C 0 0 6.4946 1.4896 0.0000 C 0 0 9.0829 -1.5198 0.0000 N 0 0 9.0754 -3.0198 0.0000 C 0 0 10.3707 -3.7764 0.0000 C 0 0 11.6810 -1.5330 0.0000 C 0 0 10.3858 -0.7764 0.0000 C 0 0 11.6295 -4.5127 0.0000 C 0 0 11.6735 -3.0329 0.0000 N 0 3 2 1 1 6 2 3 1 0 2 4 1 0 4 10 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 26 1 0 22 23 1 0 23 24 1 0 24 28 1 0 25 26 1 0 25 28 1 0 27 28 1 0 M CHG 1 28 1 M END > ZINC03815502 > 6 $$$$ SciTegic07110717312D 29 32 0 0 0 0 999 V2000 1.2964 2.9981 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 3.8926 -1.4990 0.0000 C 0 0 2 0 0 0 3.8904 -2.9990 0.0000 C 0 0 2 0 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 3 0 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -6.5006 6.0101 0.0000 N 0 0 -6.6352 7.4912 0.0000 C 0 0 -8.1017 7.8063 0.0000 C 0 0 -8.8545 6.5089 0.0000 N 0 0 -7.8533 5.3919 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 10 1 0 3 2 1 4 3 7 1 0 3 4 1 0 4 5 1 0 5 20 1 6 5 29 1 0 7 6 1 4 6 29 1 0 7 8 1 0 8 9 2 0 9 10 1 0 12 9 1 1 10 11 2 0 12 17 1 0 12 13 1 0 13 14 1 0 13 19 1 6 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 4 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > ZINC03815530 > 7 $$$$ SciTegic07110717312D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 3.8849 -6.0046 0.0000 C 0 0 3.8828 -7.5046 0.0000 C 0 0 5.1808 -8.2565 0.0000 C 0 0 6.4809 -7.5083 0.0000 C 0 0 6.4830 -6.0083 0.0000 N 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > ZINC03815561 > 8 $$$$ SciTegic07110717312D 30 33 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -3.6168 -1.4950 0.0000 C 0 0 -4.9143 -0.7422 0.0000 C 0 0 -6.2150 -1.4893 0.0000 C 0 0 -6.2184 -2.9893 0.0000 C 0 0 -4.9210 -3.7422 0.0000 C 0 0 -3.6203 -2.9951 0.0000 C 0 0 -4.9213 -5.2431 0.0000 O 0 0 -3.6222 -5.9945 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 26 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 M CHG 1 30 -1 M END > ZINC03815546 > 9 $$$$ SciTegic07110717312D 31 34 0 0 0 0 999 V2000 -3.9069 6.0022 0.0000 C 0 0 -5.2072 5.2527 0.0000 O 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 -7.8075 0.7523 0.0000 O 0 0 -9.1067 1.5036 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -2.8664 -3.6008 0.0000 O 0 0 -5.2049 -3.7560 0.0000 N 0 0 -5.2025 -5.2568 0.0000 C 0 0 -3.9008 -6.0022 0.0000 C 0 0 -3.8954 -7.5022 0.0000 C 0 0 -5.1917 -8.2569 0.0000 C 0 0 -6.4935 -7.5116 0.0000 C 0 0 -6.4988 -6.0116 0.0000 C 0 0 3.8942 -1.4964 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 11 20 2 0 11 12 1 0 12 13 2 0 13 18 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 31 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > ZINC03815555 > 10 $$$$ SciTegic07110717312D 31 35 0 0 0 0 999 V2000 -11.6580 -4.5031 0.0000 C 0 0 -10.3967 -3.7710 0.0000 C 0 0 -9.0989 -3.0188 0.0000 C 0 0 -9.1014 -1.5188 0.0000 N 0 0 -10.4018 -0.7710 0.0000 C 0 0 -11.6995 -1.5232 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.7833 2.9077 0.0000 C 0 0 2 0 0 0 2.2340 2.6167 0.0000 C 0 0 3.1972 3.7666 0.0000 C 0 0 2.6830 5.1757 0.0000 C 0 0 1.2055 5.4349 0.0000 C 0 0 0.2423 4.2850 0.0000 C 0 0 -11.6970 -3.0232 0.0000 N 0 3 1 31 1 0 2 3 1 0 2 31 1 0 3 4 1 0 4 5 1 0 4 7 1 0 5 6 1 0 6 31 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 24 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 25 22 1 1 23 24 1 0 25 30 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03815498 > 11 $$$$ SciTegic07110717312D 33 37 0 0 0 0 999 V2000 -10.1388 -3.4039 0.0000 C 0 0 -9.2478 -4.6116 0.0000 O 0 0 -7.7563 -4.4449 0.0000 C 0 0 -7.1581 -3.0693 0.0000 C 0 0 -5.6677 -2.8996 0.0000 C 0 0 -4.7753 -4.1055 0.0000 C 0 0 -5.3737 -5.4810 0.0000 C 0 0 -6.8641 -5.6507 0.0000 C 0 0 -3.3161 -4.4559 0.0000 C 0 0 -2.2893 -3.3692 0.0000 C 0 0 -0.8093 -3.7141 0.0000 C 0 0 -0.3942 -5.1597 0.0000 C 0 0 -1.4210 -6.2464 0.0000 C 0 0 -2.8878 -5.9140 0.0000 C 0 0 -0.7003 -7.5544 0.0000 N 0 0 0.7497 -7.2940 0.0000 C 0 0 1.6160 -8.1244 0.0000 O 0 0 0.9525 -5.8051 0.0000 C 0 0 2.2720 -5.0954 0.0000 C 0 0 3.5491 -5.8837 0.0000 C 0 0 4.9212 -5.3050 0.0000 C 0 0 5.8832 -6.4473 0.0000 C 0 0 5.0882 -7.7134 0.0000 C 0 0 3.6415 -7.3432 0.0000 N 0 0 5.7773 -9.0502 0.0000 C 0 0 7.2962 -9.0998 0.0000 C 0 0 8.0912 -7.8336 0.0000 C 0 0 7.3867 -6.4871 0.0000 C 0 0 5.2705 -3.8481 0.0000 C 0 0 4.1822 -2.8147 0.0000 C 0 0 4.5320 -1.3552 0.0000 C 0 0 3.6619 -0.5289 0.0000 O 0 0 5.6826 -1.0144 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 24 1 0 20 21 2 0 21 22 1 0 21 29 1 0 22 28 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 M CHG 1 33 -1 M END > ZINC04617837 > 12 $$$$