RDKit 3D 28 30 0 0 0 0 0 0 0 0999 V2000 5.9172 0.3569 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8109 -0.1199 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -0.8391 1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -1.1596 1.8404 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 -0.3321 0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 0.1657 -0.3484 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -0.1715 0.3708 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 -0.6268 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -1.2635 2.2292 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 -0.2797 0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5057 0.4126 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9242 0.4210 -0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9795 0.9389 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2921 0.7281 -0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5619 0.0247 0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5213 -0.4958 1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2276 -0.2723 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 -0.6939 1.4868 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7316 1.4147 -1.6304 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8206 -0.0682 -1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 0.0680 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8902 1.4479 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -1.1821 1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 0.3463 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 0.8649 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7795 1.4866 -1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5886 -0.1269 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7039 -1.0447 2.2605 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