RDKit 3D 42 42 0 0 0 0 0 0 0 0999 V2000 3.7581 1.9603 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9634 0.9223 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 -0.0069 0.5972 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2855 -1.4098 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 0.0593 1.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6195 0.4043 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 -0.5073 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -0.0142 -0.5643 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0788 1.3705 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 2.3904 -0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 1.6916 1.0015 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0927 1.2181 2.6541 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2059 0.8549 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 -0.5775 0.7981 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2460 -1.8036 0.9049 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -0.9559 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7619 -0.9868 -1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4435 -2.3741 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 2.1878 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 2.6020 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 0.7007 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5602 -2.1483 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 -1.6110 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2492 -1.5023 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -0.8071 2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3016 1.4332 0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 0.3416 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 -0.5705 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -1.5310 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4532 -0.0578 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 2.1907 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8639 3.4120 -0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2574 2.7310 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 1.0301 1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5825 1.1658 -0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1067 -0.7038 1.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 -1.0240 -2.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3322 -0.0551 -1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -1.8852 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 -2.7770 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3786 -2.9818 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 -2.3759 0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 3 5 1 1 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 3 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 3 2 1 0 2 1 2 3 16 8 1 0 4 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 6 10 31 1 0 10 32 1 0 11 33 1 1 13 34 1 0 13 35 1 0 14 36 1 1 17 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 2 21 1 0 1 19 1 0 1 20 1 0 M END