95D Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 44 0 0 0 0 0 0 0 0999 V2000 -2.0972 0.8248 2.1860 C 0 0 0 0 0 -6.8359 -0.9582 -0.7671 C 0 0 0 0 0 -5.4449 0.7739 0.0647 C 0 0 0 0 0 -6.5471 -1.8077 0.1685 N 0 0 0 0 0 -7.9527 -3.1454 -0.9383 C 0 0 0 0 0 3.5744 -1.7377 -0.0339 C 0 0 0 0 0 -1.3667 2.1360 -1.1282 C 0 0 0 0 0 0.6862 0.9547 -1.4603 C 0 0 0 0 0 -7.1303 -2.9903 0.1032 C 0 0 0 0 0 0.5744 0.3561 -0.2191 C 0 0 0 0 0 -2.5045 1.6325 1.1940 C 0 0 0 0 0 2.6241 -0.7592 -0.6733 C 0 0 0 0 0 -0.1702 -0.7091 2.6903 C 0 0 0 0 0 -0.2833 1.8413 -1.9069 C 0 0 0 0 0 -1.5013 1.5443 0.1295 C 0 0 0 0 0 -0.5235 0.6459 0.5908 C 0 0 0 0 0 -6.3154 0.3277 -0.8628 N 0 0 0 0 0 4.6883 -2.1229 -0.6880 N 0 0 0 0 0 -0.9127 0.2306 1.8468 N 0 0 0 0 0 -4.9397 2.0196 -0.0294 N 0 0 0 0 0 -4.6427 2.3517 2.3982 O 0 0 0 0 0 -3.5738 3.9154 0.7669 O 0 0 0 0 0 -5.1142 0.0520 0.9848 O 0 0 0 0 0 1.5299 -0.5105 0.2106 O 0 0 0 0 0 3.3387 -2.1789 1.0711 O 0 0 0 0 0 -3.9691 2.6125 1.1742 S 0 0 0 0 0 -7.9450 -1.6499 -1.8683 S 0 0 0 0 0 -8.9500 -4.7007 -1.3424 BR 0 0 0 0 0 -2.6243 0.6708 3.1160 H 0 0 0 0 0 -2.1161 2.8265 -1.4845 H 0 0 0 0 0 1.5364 0.7295 -2.0878 H 0 0 0 0 0 -6.9584 -3.7681 0.8322 H 0 0 0 0 0 3.1470 0.1751 -0.8764 H 0 0 0 0 0 2.2488 -1.1765 -1.6089 H 0 0 0 0 0 0.5297 -0.1585 3.3192 H 0 0 0 0 0 -0.8677 -1.2611 3.3207 H 0 0 0 0 0 0.3797 -1.4072 2.0598 H 0 0 0 0 0 -0.1816 2.2995 -2.8791 H 0 0 0 0 0 -6.5780 0.9047 -1.5979 H 0 0 0 0 0 5.2997 -2.7533 -0.2763 H 0 0 0 0 0 4.8775 -1.7703 -1.5724 H 0 0 0 0 0 -5.1453 2.5694 -0.8018 H 0 0 0 0 0 14 8 2 0 0 0 14 7 1 0 0 0 8 10 1 0 0 0 7 15 2 0 0 0 12 6 1 0 0 0 12 24 1 0 0 0 4 2 2 0 0 0 4 9 1 0 0 0 17 2 1 0 0 0 17 3 1 0 0 0 10 24 1 0 0 0 10 16 2 0 0 0 6 18 1 0 0 0 6 25 2 0 0 0 20 3 1 0 0 0 20 26 1 0 0 0 21 26 2 0 0 0 15 16 1 0 0 0 15 11 1 0 0 0 2 27 1 0 0 0 9 5 2 0 0 0 16 19 1 0 0 0 3 23 2 0 0 0 26 11 1 0 0 0 26 22 2 0 0 0 11 1 2 0 0 0 5 27 1 0 0 0 5 28 1 0 0 0 19 1 1 0 0 0 19 13 1 0 0 0 1 29 1 0 0 0 7 30 1 0 0 0 8 31 1 0 0 0 9 32 1 0 0 0 12 33 1 0 0 0 12 34 1 0 0 0 13 35 1 0 0 0 13 36 1 0 0 0 13 37 1 0 0 0 14 38 1 0 0 0 17 39 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 20 42 1 0 0 0 M END $$$$