95M Converted by convert_cif2sdf.py 2024/03/29 11:09:15 36 37 0 0 0 0 0 0 0 0999 V2000 5.2976 0.4974 -0.4217 C 0 0 0 0 0 8.0564 -3.3303 0.2041 C 0 0 0 0 0 6.9146 -1.1503 0.1217 C 0 0 0 0 0 2.1269 1.2724 -0.3352 C 0 0 0 0 0 0.3637 -0.3327 0.4425 C 0 0 0 0 0 0.4422 0.7992 1.1438 C 0 0 0 0 0 6.9269 -3.2904 -0.5056 C 0 0 0 0 0 1.4162 1.6847 0.7156 C 0 0 0 0 0 -0.6078 -1.4539 0.7089 C 0 0 0 0 0 -1.8891 -1.2190 -0.0936 C 0 0 0 0 0 -1.5765 -1.3012 -1.5890 C 0 0 0 0 0 -2.9210 -2.2879 0.2699 C 0 0 0 0 0 4.8352 1.7605 -0.3351 N 0 0 0 0 0 6.4397 0.1537 0.2061 N 0 0 0 0 0 6.3369 -2.1098 -0.5312 N 0 0 0 0 0 3.5329 1.6902 -2.4295 O 0 0 0 0 0 3.1982 3.5493 -0.7926 O 0 0 0 0 0 4.6828 -0.3330 -1.0618 O 0 0 0 0 0 3.4285 2.1814 -1.1007 S 0 0 0 0 0 8.3438 -1.7228 0.8652 S 0 0 0 0 0 1.5704 -0.3186 -0.8362 S 0 0 0 0 0 9.1527 -4.8498 0.4633 BR 0 0 0 0 0 -0.2040 1.0078 1.9839 H 0 0 0 0 0 6.5284 -4.1541 -1.0169 H 0 0 0 0 0 1.5872 2.6368 1.1960 H 0 0 0 0 0 -0.1592 -2.4010 0.4098 H 0 0 0 0 0 -0.8456 -1.4843 1.7717 H 0 0 0 0 0 -2.2886 -0.2329 0.1402 H 0 0 0 0 0 -2.4891 -1.1341 -2.1613 H 0 0 0 0 0 -0.8408 -0.5396 -1.8487 H 0 0 0 0 0 -1.1757 -2.2870 -1.8238 H 0 0 0 0 0 -3.1445 -2.2301 1.3356 H 0 0 0 0 0 -3.8350 -2.1212 -0.3013 H 0 0 0 0 0 -2.5215 -3.2740 0.0362 H 0 0 0 0 0 5.3264 2.4235 0.1762 H 0 0 0 0 0 6.9318 0.8160 0.7166 H 0 0 0 0 0 11 10 1 0 0 0 15 7 1 0 0 0 15 3 2 0 0 0 6 8 1 0 0 0 6 5 2 0 0 0 8 4 2 0 0 0 14 3 1 0 0 0 14 1 1 0 0 0 10 9 1 0 0 0 10 12 1 0 0 0 7 2 2 0 0 0 13 1 1 0 0 0 13 19 1 0 0 0 3 20 1 0 0 0 5 9 1 0 0 0 5 21 1 0 0 0 16 19 2 0 0 0 4 19 1 0 0 0 4 21 1 0 0 0 1 18 2 0 0 0 19 17 2 0 0 0 2 20 1 0 0 0 2 22 1 0 0 0 6 23 1 0 0 0 7 24 1 0 0 0 8 25 1 0 0 0 9 26 1 0 0 0 9 27 1 0 0 0 10 28 1 0 0 0 11 29 1 0 0 0 11 30 1 0 0 0 11 31 1 0 0 0 12 32 1 0 0 0 12 33 1 0 0 0 12 34 1 0 0 0 13 35 1 0 0 0 14 36 1 0 0 0 M END $$$$