95V Converted by convert_cif2sdf.py 2024/03/01 05:07:52 36 38 0 0 0 0 0 0 0 0999 V2000 6.0256 -0.4115 0.3523 C 0 0 0 0 0 4.5656 1.3691 -0.2104 C 0 0 0 0 0 1.4850 2.2008 -0.9100 C 0 0 0 0 0 7.3248 -2.1957 0.6761 C 0 0 0 0 0 6.7653 -2.6152 -0.4607 C 0 0 0 0 0 0.4895 2.4574 0.0146 C 0 0 0 0 0 -0.6323 1.6549 0.0638 C 0 0 0 0 0 -0.7607 0.5854 -0.8202 C 0 0 0 0 0 0.2460 0.3321 -1.7498 C 0 0 0 0 0 1.3635 1.1406 -1.7906 C 0 0 0 0 0 -1.9632 -0.2816 -0.7713 C 0 0 0 0 0 -3.9443 -0.9142 0.0328 C 0 0 0 0 0 -2.1435 -1.3333 -1.5950 C 0 0 0 0 0 -5.1566 -0.8587 0.9271 C 0 0 0 0 0 -2.9533 -0.0928 0.0894 N 0 0 0 0 0 6.9092 -1.0119 1.0874 N 0 0 0 0 0 5.4792 0.8380 0.6247 N 0 0 0 0 0 4.0351 2.5802 0.0538 N 0 0 0 0 0 4.2186 0.7573 -1.2018 O 0 0 0 0 0 3.4432 3.1056 -2.2846 O 0 0 0 0 0 2.5290 4.4809 -0.4077 O 0 0 0 0 0 5.6364 -1.3765 -1.0044 S 0 0 0 0 0 -3.6908 -2.0746 -1.1948 S 0 0 0 0 0 2.9120 3.2336 -0.9727 S 0 0 0 0 0 7.1215 -4.2532 -1.3360 BR 0 0 0 0 0 8.0568 -2.7775 1.2157 H 0 0 0 0 0 0.5893 3.2867 0.6990 H 0 0 0 0 0 -1.4089 1.8550 0.7869 H 0 0 0 0 0 0.1528 -0.4958 -2.4381 H 0 0 0 0 0 2.1449 0.9462 -2.5104 H 0 0 0 0 0 -1.4609 -1.6635 -2.3641 H 0 0 0 0 0 -5.9195 -0.2308 0.4673 H 0 0 0 0 0 -5.5507 -1.8661 1.0664 H 0 0 0 0 0 -4.8766 -0.4409 1.8938 H 0 0 0 0 0 5.7566 1.3256 1.4161 H 0 0 0 0 0 4.3118 3.0691 0.8443 H 0 0 0 0 0 21 24 2 0 0 0 10 9 2 0 0 0 10 3 1 0 0 0 24 20 2 0 0 0 24 3 1 0 0 0 24 18 1 0 0 0 9 8 1 0 0 0 3 6 2 0 0 0 13 11 2 0 0 0 13 23 1 0 0 0 8 11 1 0 0 0 8 7 2 0 0 0 6 7 1 0 0 0 11 15 1 0 0 0 23 12 1 0 0 0 18 2 1 0 0 0 15 12 2 0 0 0 12 14 1 0 0 0 2 19 2 0 0 0 2 17 1 0 0 0 17 1 1 0 0 0 1 16 2 0 0 0 1 22 1 0 0 0 16 4 1 0 0 0 22 5 1 0 0 0 4 5 2 0 0 0 5 25 1 0 0 0 4 26 1 0 0 0 6 27 1 0 0 0 7 28 1 0 0 0 9 29 1 0 0 0 10 30 1 0 0 0 13 31 1 0 0 0 14 32 1 0 0 0 14 33 1 0 0 0 14 34 1 0 0 0 17 35 1 0 0 0 18 36 1 0 0 0 M END $$$$