JED Converted by convert_cif2sdf.py 2024/03/29 11:09:15 40 43 0 0 0 0 0 0 0 0999 V2000 -3.1187 0.8081 0.0946 C 0 0 0 0 0 -2.1931 1.8601 0.2457 C 0 0 0 0 0 -0.4177 0.3921 0.0178 C 0 0 0 0 0 -3.4187 -2.7590 0.4547 O 0 0 0 0 0 -4.5039 -1.5530 -1.0601 O 0 0 0 0 0 3.2794 1.0645 0.0961 C 0 0 0 0 0 1.9151 1.2651 0.1334 C 0 0 0 0 0 5.2809 -0.4190 -0.1416 C 0 0 0 0 0 -4.4495 1.4073 0.1910 C 0 0 0 0 0 -5.7430 0.6904 0.0923 C 0 0 0 0 0 -5.9368 -0.5016 0.7887 C 0 0 0 0 0 -7.1435 -1.1651 0.6932 C 0 0 0 0 0 -8.1593 -0.6494 -0.0925 C 0 0 0 0 0 -7.9715 0.5327 -0.7866 C 0 0 0 0 0 -6.7710 1.2078 -0.6934 C 0 0 0 0 0 3.7896 -0.2060 -0.1012 C 0 0 0 0 0 -1.2690 -0.7032 -0.1510 C 0 0 0 0 0 -2.6461 -0.5054 -0.1089 C 0 0 0 0 0 -3.5842 -1.6366 -0.2717 C 0 0 0 0 0 1.0491 0.1835 -0.0225 C 0 0 0 0 0 1.5691 -1.0954 -0.2153 C 0 0 0 0 0 2.9352 -1.2831 -0.2617 C 0 0 0 0 0 -0.8922 1.6129 0.2018 N 0 0 0 0 0 -2.9261 3.0056 0.4209 N 0 0 0 0 0 -4.2886 2.6955 0.3824 N 0 0 0 0 0 -9.8096 -1.5648 -0.2192 BR 0 0 0 0 0 -4.0574 -3.4716 0.3129 H 0 0 0 0 0 3.9505 1.9021 0.2157 H 0 0 0 0 0 1.5175 2.2576 0.2838 H 0 0 0 0 0 5.6354 -0.3151 -1.1669 H 0 0 0 0 0 5.7704 0.3223 0.4895 H 0 0 0 0 0 5.5156 -1.4183 0.2238 H 0 0 0 0 0 -5.1449 -0.9052 1.4026 H 0 0 0 0 0 -7.2953 -2.0887 1.2332 H 0 0 0 0 0 -8.7669 0.9309 -1.3999 H 0 0 0 0 0 -6.6263 2.1308 -1.2354 H 0 0 0 0 0 -0.8636 -1.6929 -0.3011 H 0 0 0 0 0 0.9036 -1.9373 -0.3372 H 0 0 0 0 0 3.3386 -2.2727 -0.4159 H 0 0 0 0 0 -2.5561 3.8929 0.5513 H 0 0 0 0 0 8 16 1 0 0 0 16 22 2 0 0 0 16 6 1 0 0 0 22 21 1 0 0 0 6 7 2 0 0 0 21 20 2 0 0 0 5 19 2 0 0 0 7 20 1 0 0 0 20 3 1 0 0 0 17 3 2 0 0 0 17 18 1 0 0 0 19 18 1 0 0 0 19 4 1 0 0 0 3 23 1 0 0 0 18 1 2 0 0 0 23 2 2 0 0 0 1 2 1 0 0 0 1 9 1 0 0 0 2 24 1 0 0 0 15 14 2 0 0 0 15 10 1 0 0 0 14 13 1 0 0 0 9 10 1 0 0 0 9 25 2 0 0 0 10 11 2 0 0 0 24 25 1 0 0 0 13 26 1 0 0 0 13 12 2 0 0 0 11 12 1 0 0 0 4 27 1 0 0 0 6 28 1 0 0 0 7 29 1 0 0 0 8 30 1 0 0 0 8 31 1 0 0 0 8 32 1 0 0 0 11 33 1 0 0 0 12 34 1 0 0 0 14 35 1 0 0 0 15 36 1 0 0 0 17 37 1 0 0 0 21 38 1 0 0 0 22 39 1 0 0 0 24 40 1 0 0 0 M END $$$$