CI3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 53 55 0 0 0 0 0 0 0 0999 V2000 -1.1770 6.3257 0.6133 CL 0 0 0 0 0 -0.8979 4.6869 0.1115 C 0 0 0 0 0 0.3868 4.1762 0.1011 C 0 0 0 0 0 0.6077 2.8707 -0.2980 C 0 0 0 0 0 -1.9627 3.8910 -0.2711 C 0 0 0 0 0 -1.7399 2.5865 -0.6701 C 0 0 0 0 0 -0.4552 2.0779 -0.6865 C 0 0 0 0 0 -0.2136 0.6554 -1.1230 C 0 0 0 0 0 -0.3443 -0.2766 0.0823 C 0 0 0 0 0 0.7155 0.0858 1.1261 C 0 0 0 0 0 -1.7164 -0.1285 0.6865 C 0 0 0 0 0 -1.8411 0.3214 1.8073 O 0 0 0 0 0 -2.8604 -0.5153 -0.0523 C 0 0 0 0 0 -4.0857 -0.4817 0.5276 C 0 0 0 0 0 -4.2143 -0.0803 1.8122 O 0 0 0 0 0 -5.2838 -0.8855 -0.2463 C 0 0 0 0 0 -0.1369 -1.7257 -0.3667 C 0 0 0 0 0 -5.1674 -1.2465 -1.3996 O 0 0 0 0 0 -6.5002 -0.8528 0.3296 O 0 0 0 0 0 1.2805 -1.8811 -0.9253 C 0 0 0 0 0 2.2936 -1.4735 0.1471 C 0 0 0 0 0 2.0537 -0.0779 0.5438 N 0 0 0 0 0 3.0919 0.3917 1.4706 C 0 0 0 0 0 4.4174 0.4459 0.7544 C 0 0 0 0 0 4.8027 1.6004 0.1009 C 0 0 0 0 0 6.0186 1.6500 -0.5567 C 0 0 0 0 0 6.8481 0.5441 -0.5599 C 0 0 0 0 0 6.4617 -0.6113 0.0945 C 0 0 0 0 0 5.2489 -0.6590 0.7552 C 0 0 0 0 0 -2.9665 4.2884 -0.2585 H 0 0 0 0 0 1.2181 4.7954 0.4042 H 0 0 0 0 0 -2.5711 1.9641 -0.9703 H 0 0 0 0 0 1.6115 2.4721 -0.3065 H 0 0 0 0 0 -0.9476 0.3779 -1.8793 H 0 0 0 0 0 0.7897 0.5694 -1.5419 H 0 0 0 0 0 -0.2687 -2.3937 0.4849 H 0 0 0 0 0 -0.8630 -1.9747 -1.1413 H 0 0 0 0 0 0.5790 1.1205 1.4380 H 0 0 0 0 0 0.6127 -0.5706 1.9908 H 0 0 0 0 0 -2.7581 -0.8358 -1.0784 H 0 0 0 0 0 -5.1252 -0.0899 2.1379 H 0 0 0 0 0 -7.2518 -1.1252 -0.2144 H 0 0 0 0 0 1.4482 -2.9207 -1.2075 H 0 0 0 0 0 1.3992 -1.2425 -1.7996 H 0 0 0 0 0 2.1828 -2.1210 1.0171 H 0 0 0 0 0 3.3030 -1.5691 -0.2512 H 0 0 0 0 0 2.8337 1.3872 1.8312 H 0 0 0 0 0 3.1630 -0.2941 2.3144 H 0 0 0 0 0 4.1551 2.4651 0.1032 H 0 0 0 0 0 4.9488 -1.5596 1.2702 H 0 0 0 0 0 6.3197 2.5524 -1.0676 H 0 0 0 0 0 7.7968 0.5819 -1.0741 H 0 0 0 0 0 7.1093 -1.4750 0.0923 H 0 0 0 0 0 1 2 1 0 0 0 2 5 2 0 0 0 2 3 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 3 4 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 9 17 1 0 0 0 9 10 1 0 0 0 11 13 1 0 0 0 11 12 2 0 0 0 13 14 2 0 0 0 14 16 1 0 0 0 14 15 1 0 0 0 16 18 2 0 0 0 16 19 1 0 0 0 17 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 10 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 29 1 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 5 30 1 0 0 0 3 31 1 0 0 0 6 32 1 0 0 0 4 33 1 0 0 0 8 34 1 0 0 0 8 35 1 0 0 0 17 36 1 0 0 0 17 37 1 0 0 0 10 38 1 0 0 0 10 39 1 0 0 0 13 40 1 0 0 0 15 41 1 0 0 0 19 42 1 0 0 0 20 43 1 0 0 0 20 44 1 0 0 0 21 45 1 0 0 0 21 46 1 0 0 0 23 47 1 0 0 0 23 48 1 0 0 0 25 49 1 0 0 0 29 50 1 0 0 0 26 51 1 0 0 0 27 52 1 0 0 0 28 53 1 0 0 0 M END $$$$