RDKit 3D 28 30 0 0 0 0 0 0 0 0999 V2000 5.8152 1.5359 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 0.4692 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0219 -0.8807 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 -1.7152 0.1469 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7007 -0.2446 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 0.8230 -0.1935 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 -0.1349 -0.0755 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 -1.1463 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 -2.3316 0.2159 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 -0.6802 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5585 0.5660 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9673 0.3764 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 1.2081 -0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3648 0.6172 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 -0.7590 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4084 -1.5976 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -0.9853 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 -1.6219 0.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9005 1.7138 -0.3633 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 1.1293 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6932 2.2815 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7105 2.0372 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 -1.4030 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0351 0.8173 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0491 1.5105 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 2.2781 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5173 -1.1958 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5038 -2.6674 0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 14 19 1 0 6 2 1 0 18 10 1 0 17 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 7 24 1 0 11 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 M END