96J Converted by convert_cif2sdf.py 2024/03/29 11:09:15 33 34 0 0 0 0 0 0 0 0999 V2000 -0.2201 -1.6973 0.7849 C 0 0 0 0 0 3.9265 0.3961 0.3921 C 0 0 0 0 0 -3.4129 -1.0720 1.0588 C 0 0 0 0 0 3.1357 -0.5810 -0.1709 C 0 0 0 0 0 1.9294 -0.7481 0.4319 C 0 0 0 0 0 -4.2977 -0.9151 0.0079 C 0 0 0 0 0 -4.9387 0.2953 -0.1817 C 0 0 0 0 0 5.2932 0.7163 -0.1554 C 0 0 0 0 0 -3.1692 -0.0186 1.9202 C 0 0 0 0 0 -3.8102 1.1918 1.7307 C 0 0 0 0 0 -4.6950 1.3488 0.6798 C 0 0 0 0 0 -5.9023 0.4670 -1.3272 C 0 0 0 0 0 -1.1879 -2.5701 0.4440 N 0 0 0 0 0 0.9290 -1.6562 0.0810 N 0 0 0 0 0 3.4382 1.0331 1.4163 N 0 0 0 0 0 -2.2354 -2.6638 2.6767 O 0 0 0 0 0 -3.4179 -3.6012 0.6834 O 0 0 0 0 0 -0.3838 -0.9443 1.7253 O 0 0 0 0 0 -2.6019 -2.6162 1.3044 S 0 0 0 0 0 1.8957 0.3944 1.7172 S 0 0 0 0 0 3.6846 -1.6053 -1.6630 BR 0 0 0 0 0 -4.4879 -1.7374 -0.6653 H 0 0 0 0 0 6.0393 0.0975 0.3437 H 0 0 0 0 0 5.3117 0.5148 -1.2269 H 0 0 0 0 0 5.5179 1.7686 0.0191 H 0 0 0 0 0 -2.4786 -0.1414 2.7418 H 0 0 0 0 0 -3.6199 2.0151 2.4043 H 0 0 0 0 0 -5.1961 2.2944 0.5328 H 0 0 0 0 0 -6.9055 0.1940 -1.0009 H 0 0 0 0 0 -5.8963 1.5063 -1.6538 H 0 0 0 0 0 -5.6017 -0.1759 -2.1539 H 0 0 0 0 0 -1.0575 -3.1706 -0.3067 H 0 0 0 0 0 1.0596 -2.2571 -0.6688 H 0 0 0 0 0 17 19 2 0 0 0 9 10 2 0 0 0 9 3 1 0 0 0 10 11 1 0 0 0 19 3 1 0 0 0 19 16 2 0 0 0 19 13 1 0 0 0 3 6 2 0 0 0 11 7 2 0 0 0 6 7 1 0 0 0 7 12 1 0 0 0 13 1 1 0 0 0 1 18 2 0 0 0 1 14 1 0 0 0 14 5 1 0 0 0 21 4 1 0 0 0 5 4 2 0 0 0 5 20 1 0 0 0 4 2 1 0 0 0 20 15 1 0 0 0 2 15 2 0 0 0 2 8 1 0 0 0 6 22 1 0 0 0 8 23 1 0 0 0 8 24 1 0 0 0 8 25 1 0 0 0 9 26 1 0 0 0 10 27 1 0 0 0 11 28 1 0 0 0 12 29 1 0 0 0 12 30 1 0 0 0 12 31 1 0 0 0 13 32 1 0 0 0 14 33 1 0 0 0 M END $$$$