RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 -2.1094 -2.2063 -2.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 -1.3539 -2.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 -1.2088 -2.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 -0.7541 -0.9144 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 0.1649 -0.0333 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1418 0.7232 0.7525 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2604 0.1266 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 -0.7290 -0.6978 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5189 0.5450 0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 0.0671 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8946 0.4834 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9344 1.3196 2.0468 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7526 1.7638 2.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5276 1.4089 1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0738 -0.5018 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 -1.4819 1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -2.0924 2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 -1.7303 2.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2172 -0.7666 1.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -0.1744 0.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 0.7906 -0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 0.2639 -1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 0.7945 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2017 2.1151 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 2.6061 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 1.7801 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 0.4694 -1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 -0.0197 -1.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3440 2.4435 -0.6687 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -2.9542 -2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8506 -1.5760 -3.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 -2.7307 -3.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6449 0.9677 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7543 -0.6047 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8631 0.1478 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8214 2.4339 3.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 1.8007 2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.7765 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 -2.8460 3.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5253 -2.1942 3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 -0.4741 1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 0.6109 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 -0.8346 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 2.7689 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6696 3.6306 -0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1952 -0.1749 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8992 -1.0412 -1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 5 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 26 29 1 0 8 4 1 0 14 9 1 0 20 15 1 0 28 23 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 6 10 34 1 0 11 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 22 42 1 0 22 43 1 0 24 44 1 0 25 45 1 0 27 46 1 0 28 47 1 0 M END