C8N Converted by convert_cif2sdf.py 2024/03/29 11:09:15 48 51 0 0 0 0 0 0 0 0999 V2000 5.4469 3.0775 0.9282 O 0 0 0 0 0 4.4069 2.2302 0.8777 C 0 0 0 0 0 3.6954 2.0894 1.8430 O 0 0 0 0 0 4.1271 1.4558 -0.3849 C 0 0 0 0 0 5.3258 0.5602 -0.6888 C 0 0 0 0 0 4.6351 -1.1197 -0.6979 S 0 0 0 0 0 2.9676 -0.6443 -0.3405 C 0 0 0 0 0 1.8496 -1.4498 -0.1941 C 0 0 0 0 0 1.9702 -2.8362 -0.3331 N 0 3 0 0 0 1.7080 -3.4826 0.9599 C 0 0 0 0 0 0.9981 -3.3145 -1.3253 C 0 0 0 0 0 0.6110 -0.8890 0.0898 C 0 0 0 0 0 -0.6111 -1.7561 0.2491 C 0 0 0 0 0 -1.7667 -0.9131 0.7237 C 0 0 0 0 0 -2.1340 -0.9299 2.0339 C 0 0 0 0 0 -3.1997 -0.1576 2.4902 C 0 0 0 0 0 -3.9052 0.6369 1.6391 C 0 0 0 0 0 -3.5567 0.6796 0.2788 C 0 0 0 0 0 -4.2614 1.4868 -0.6301 C 0 0 0 0 0 -3.8950 1.5038 -1.9413 C 0 0 0 0 0 -2.8294 0.7314 -2.3977 C 0 0 0 0 0 -2.1239 -0.0621 -1.5464 C 0 0 0 0 0 -2.4686 -0.1007 -0.1846 C 0 0 0 0 0 0.5262 0.4821 0.2209 C 0 0 0 0 0 1.6697 1.2605 0.0679 C 0 0 0 0 0 1.5831 2.4726 0.1860 O 0 0 0 0 0 2.8860 0.7030 -0.2116 N 0 0 0 0 0 5.5866 3.5519 1.7597 H 0 0 0 0 0 3.9966 2.1602 -1.2072 H 0 0 0 0 0 5.7467 0.8054 -1.6642 H 0 0 0 0 0 6.0819 0.6576 0.0893 H 0 0 0 0 0 0.6349 -3.6282 1.0825 H 0 0 0 0 0 2.2113 -4.4485 0.9922 H 0 0 0 0 0 2.0832 -2.8499 1.7643 H 0 0 0 0 0 0.8779 -2.5644 -2.1073 H 0 0 0 0 0 1.3566 -4.2449 -1.7658 H 0 0 0 0 0 0.0383 -3.4890 -0.8392 H 0 0 0 0 0 -0.8618 -2.2106 -0.7091 H 0 0 0 0 0 -0.4088 -2.5388 0.9806 H 0 0 0 0 0 -1.5911 -1.5519 2.7298 H 0 0 0 0 0 -3.4708 -0.1891 3.5355 H 0 0 0 0 0 -4.7297 1.2293 2.0078 H 0 0 0 0 0 -5.0902 2.0909 -0.2902 H 0 0 0 0 0 -4.4389 2.1247 -2.6374 H 0 0 0 0 0 -2.5602 0.7618 -3.4431 H 0 0 0 0 0 -1.3003 -0.6567 -1.9144 H 0 0 0 0 0 -0.4227 0.9493 0.4406 H 0 0 0 0 0 2.9037 -3.0634 -0.6403 H 0 0 0 0 0 3 2 2 0 0 0 1 2 1 0 0 0 2 4 1 0 0 0 26 25 2 0 0 0 4 5 1 0 0 0 4 27 1 0 0 0 5 6 1 0 0 0 25 27 1 0 0 0 25 24 1 0 0 0 27 7 1 0 0 0 24 12 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 12 8 1 0 0 0 12 13 1 0 0 0 8 9 1 0 0 0 13 14 1 0 0 0 11 9 1 0 0 0 9 10 1 0 0 0 15 14 2 0 0 0 15 16 1 0 0 0 14 23 1 0 0 0 16 17 2 0 0 0 23 22 2 0 0 0 23 18 1 0 0 0 17 18 1 0 0 0 22 21 1 0 0 0 18 19 2 0 0 0 21 20 2 0 0 0 19 20 1 0 0 0 1 28 1 0 0 0 4 29 1 0 0 0 5 30 1 0 0 0 5 31 1 0 0 0 10 32 1 0 0 0 10 33 1 0 0 0 10 34 1 0 0 0 11 35 1 0 0 0 11 36 1 0 0 0 11 37 1 0 0 0 13 38 1 0 0 0 13 39 1 0 0 0 15 40 1 0 0 0 16 41 1 0 0 0 17 42 1 0 0 0 19 43 1 0 0 0 20 44 1 0 0 0 21 45 1 0 0 0 22 46 1 0 0 0 24 47 1 0 0 0 9 48 1 0 0 0 M END $$$$