94S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 43 44 0 0 0 0 0 0 0 0999 V2000 -0.8596 -1.5476 -1.0895 C 0 0 0 0 0 -4.1753 -0.0490 1.9790 C 0 0 0 0 0 2.1248 -0.6795 -2.0894 C 0 0 0 0 0 4.2090 -0.3503 -0.9568 C 0 0 0 0 0 -2.5386 -1.2088 0.5509 C 0 0 0 0 0 -3.4941 0.7221 1.1279 C 0 0 0 0 0 3.9073 0.9938 -0.7941 C 0 0 0 0 0 3.3171 -1.1833 -1.6039 C 0 0 0 0 0 5.5080 -0.9006 -0.4271 C 0 0 0 0 0 1.8244 0.6618 -1.9342 C 0 0 0 0 0 2.7133 1.4990 -1.2872 C 0 0 0 0 0 5.3426 -1.2679 1.0489 C 0 0 0 0 0 4.4066 3.1882 -0.0272 C 0 0 0 0 0 4.3336 -2.4109 1.1805 C 0 0 0 0 0 6.6916 -1.7096 1.6187 C 0 0 0 0 0 -0.0260 -2.3651 -1.7627 N 0 0 0 0 0 -1.6820 -2.0520 -0.1483 N 0 0 0 0 0 -2.6247 0.0723 0.3754 N 0 0 0 0 0 0.1927 -0.9132 -3.7471 O 0 0 0 0 0 1.7523 -2.8372 -3.4085 O 0 0 0 0 0 -0.8671 -0.3558 -1.3271 O 0 0 0 0 0 4.7830 1.8154 -0.1571 O 0 0 0 0 0 0.9899 -1.7442 -2.9143 S 0 0 0 0 0 -3.6309 -1.7109 1.7655 S 0 0 0 0 0 -5.4882 0.5419 3.2057 BR 0 0 0 0 0 -3.6436 1.7895 1.0596 H 0 0 0 0 0 3.5510 -2.2304 -1.7310 H 0 0 0 0 0 5.7830 -1.7904 -0.9936 H 0 0 0 0 0 6.2895 -0.1493 -0.5291 H 0 0 0 0 0 0.8953 1.0549 -2.3185 H 0 0 0 0 0 2.4774 2.5462 -1.1655 H 0 0 0 0 0 4.9817 -0.3999 1.6005 H 0 0 0 0 0 5.1918 3.7312 0.4988 H 0 0 0 0 0 4.2644 3.6218 -1.0168 H 0 0 0 0 0 3.4763 3.2582 0.5373 H 0 0 0 0 0 4.2161 -2.6726 2.2322 H 0 0 0 0 0 3.3727 -2.0962 0.7750 H 0 0 0 0 0 4.6954 -3.2790 0.6286 H 0 0 0 0 0 7.4094 -0.8950 1.5253 H 0 0 0 0 0 6.5742 -1.9713 2.6704 H 0 0 0 0 0 7.0526 -2.5776 1.0671 H 0 0 0 0 0 -0.0201 -3.3165 -1.5726 H 0 0 0 0 0 -1.6770 -3.0034 0.0422 H 0 0 0 0 0 13 22 1 0 0 0 11 10 2 0 0 0 11 7 1 0 0 0 10 3 1 0 0 0 18 5 2 0 0 0 18 6 1 0 0 0 17 5 1 0 0 0 17 1 1 0 0 0 22 7 1 0 0 0 16 1 1 0 0 0 16 23 1 0 0 0 5 24 1 0 0 0 6 2 2 0 0 0 7 4 2 0 0 0 20 23 2 0 0 0 1 21 2 0 0 0 3 23 1 0 0 0 3 8 2 0 0 0 23 19 2 0 0 0 2 24 1 0 0 0 2 25 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 9 12 1 0 0 0 12 15 1 0 0 0 12 14 1 0 0 0 6 26 1 0 0 0 8 27 1 0 0 0 9 28 1 0 0 0 9 29 1 0 0 0 10 30 1 0 0 0 11 31 1 0 0 0 12 32 1 0 0 0 13 33 1 0 0 0 13 34 1 0 0 0 13 35 1 0 0 0 14 36 1 0 0 0 14 37 1 0 0 0 14 38 1 0 0 0 15 39 1 0 0 0 15 40 1 0 0 0 15 41 1 0 0 0 16 42 1 0 0 0 17 43 1 0 0 0 M END $$$$