RDKit 3D 51 55 0 0 0 0 0 0 0 0999 V2000 9.7707 0.3408 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 0.1823 1.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4981 0.1698 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5947 0.0030 1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -0.0299 1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6945 0.1028 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 0.2726 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0055 0.3060 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 0.0617 0.0054 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3916 0.5751 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 1.1487 2.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9413 0.4746 0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.9059 1.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.8102 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8069 0.2944 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8494 -0.1454 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5131 -0.0468 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 -0.4806 -1.4071 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 -0.4724 -1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 -0.9737 -2.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 0.1789 -0.1152 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8477 -1.0517 0.4434 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 -1.3551 -0.4796 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3947 -0.9974 -1.7873 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5762 0.1907 -1.5237 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2349 -0.6851 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0312 -1.3163 0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2325 -0.7499 1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6587 0.4662 0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8764 1.1116 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6746 0.5496 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4429 2.7724 -0.8465 Br 0 0 0 0 0 0 0 0 0 0 0 0 10.7652 0.3246 0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7188 -0.4873 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6510 1.3061 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9624 -0.1074 2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 -0.1927 2.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 0.4163 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 0.4447 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 1.3151 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 1.1371 2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1749 -0.5665 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -0.8857 -2.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7998 1.0540 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -1.7706 0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1106 -2.4370 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1465 -0.6395 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7086 -2.2607 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8312 -1.2563 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5927 0.9034 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0816 1.0899 -1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 6 9 1 0 9 10 1 0 10 11 2 0 10 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 18 19 1 0 19 20 2 0 15 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 30 32 1 0 8 3 1 0 19 9 1 0 17 12 1 0 25 21 1 0 31 26 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 5 37 1 0 7 38 1 0 8 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 18 43 1 0 21 44 1 1 22 45 1 0 23 46 1 6 24 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 31 51 1 0 M END