J9S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 60 63 0 0 0 0 0 0 0 0999 V2000 0.4872 -1.2455 -2.2780 N 0 0 0 0 0 1.0860 -0.3532 -1.2824 C 0 0 0 0 0 2.2706 2.1416 1.0969 C 0 0 0 0 0 0.3157 3.3897 -1.1293 C 0 0 0 0 0 -1.1861 3.5101 -1.1456 C 0 0 0 0 0 -1.9397 3.8727 -0.1070 C 0 0 0 0 0 -3.6511 3.5832 -1.6022 C 0 0 0 0 0 3.1714 -0.8014 0.0357 C 0 0 0 0 0 -7.0215 -0.8890 1.7579 O 0 0 0 0 0 -6.0772 -1.1660 1.0382 C 0 0 0 0 0 -4.8619 -1.3318 1.5865 N 0 0 0 0 0 -3.7687 -1.6455 0.8073 C 0 0 0 0 0 -3.9249 -1.7943 -0.5835 C 0 0 0 0 0 -5.2536 -1.6111 -1.1717 C 0 0 0 0 0 -6.2888 -1.3093 -0.3501 C 0 0 0 0 0 -2.8193 -2.1115 -1.3791 C 0 0 0 0 0 -1.5926 -2.2751 -0.7994 C 0 0 0 0 0 -0.2000 -2.6755 -1.8024 S 0 0 0 0 0 -0.7136 -3.2845 -2.9782 O 0 0 0 0 0 0.8517 1.0794 -1.6865 C 0 0 0 0 0 0.6923 2.0279 -0.7421 N 0 0 0 0 0 0.8962 1.6980 0.6697 C 0 0 0 0 0 2.6969 1.8995 2.3465 O 0 0 0 0 0 2.9909 2.7155 0.3150 O 0 0 0 0 0 -3.3005 3.9134 -0.3588 C 0 0 0 0 0 -2.2133 3.2016 -2.5396 S 0 0 0 0 0 0.8077 1.3785 -2.8610 O 0 0 0 0 0 2.5678 -0.6162 -1.1986 C 0 0 0 0 0 2.4268 -0.7515 1.1724 O 0 0 0 0 0 3.1214 -0.9129 2.4110 C 0 0 0 0 0 4.5361 -1.0438 0.1096 C 0 0 0 0 0 5.2892 -1.0995 -1.0464 C 0 0 0 0 0 4.6848 -0.9153 -2.2766 C 0 0 0 0 0 3.3261 -0.6736 -2.3528 C 0 0 0 0 0 0.7420 -3.3079 -0.9469 O 0 0 0 0 0 -1.4350 -2.1304 0.5724 C 0 0 0 0 0 -2.5100 -1.8173 1.3747 C 0 0 0 0 0 0.4898 -0.9972 -3.2156 H 0 0 0 0 0 0.6297 -0.5361 -0.3095 H 0 0 0 0 0 0.7087 3.6074 -2.1228 H 0 0 0 0 0 0.7298 4.0991 -0.4121 H 0 0 0 0 0 -1.5210 4.1161 0.8583 H 0 0 0 0 0 -4.6638 3.5597 -1.9785 H 0 0 0 0 0 -4.7516 -1.2301 2.5457 H 0 0 0 0 0 -5.4056 -1.7180 -2.2351 H 0 0 0 0 0 -7.2789 -1.1735 -0.7603 H 0 0 0 0 0 -2.9340 -2.2261 -2.4471 H 0 0 0 0 0 0.8029 0.6200 0.8079 H 0 0 0 0 0 0.1456 2.2079 1.2741 H 0 0 0 0 0 3.5539 2.2692 2.5981 H 0 0 0 0 0 -4.0232 4.1867 0.3955 H 0 0 0 0 0 3.6221 -1.8815 2.4230 H 0 0 0 0 0 3.8620 -0.1196 2.5185 H 0 0 0 0 0 2.4106 -0.8603 3.2346 H 0 0 0 0 0 5.0086 -1.1880 1.0701 H 0 0 0 0 0 6.3507 -1.2880 -0.9901 H 0 0 0 0 0 5.2759 -0.9595 -3.1798 H 0 0 0 0 0 2.8566 -0.5302 -3.3143 H 0 0 0 0 0 -0.4586 -2.2636 1.0142 H 0 0 0 0 0 -2.3761 -1.7066 2.4408 H 0 0 0 0 0 9 10 2 0 0 0 10 15 1 0 0 0 10 11 1 0 0 0 15 14 2 0 0 0 11 12 1 0 0 0 14 13 1 0 0 0 12 13 2 0 0 0 12 37 1 0 0 0 13 16 1 0 0 0 37 36 2 0 0 0 16 17 2 0 0 0 36 17 1 0 0 0 17 18 1 0 0 0 35 18 2 0 0 0 25 7 2 0 0 0 25 6 1 0 0 0 7 26 1 0 0 0 18 19 2 0 0 0 18 1 1 0 0 0 6 5 2 0 0 0 26 5 1 0 0 0 1 2 1 0 0 0 5 4 1 0 0 0 27 20 2 0 0 0 20 2 1 0 0 0 20 21 1 0 0 0 22 21 1 0 0 0 22 3 1 0 0 0 2 28 1 0 0 0 21 4 1 0 0 0 29 30 1 0 0 0 29 8 1 0 0 0 3 24 2 0 0 0 3 23 1 0 0 0 28 8 2 0 0 0 28 34 1 0 0 0 8 31 1 0 0 0 34 33 2 0 0 0 31 32 2 0 0 0 33 32 1 0 0 0 1 38 1 0 0 0 2 39 1 0 0 0 4 40 1 0 0 0 4 41 1 0 0 0 6 42 1 0 0 0 7 43 1 0 0 0 11 44 1 0 0 0 14 45 1 0 0 0 15 46 1 0 0 0 16 47 1 0 0 0 22 48 1 0 0 0 22 49 1 0 0 0 23 50 1 0 0 0 25 51 1 0 0 0 30 52 1 0 0 0 30 53 1 0 0 0 30 54 1 0 0 0 31 55 1 0 0 0 32 56 1 0 0 0 33 57 1 0 0 0 34 58 1 0 0 0 36 59 1 0 0 0 37 60 1 0 0 0 M END $$$$