RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 3.0903 2.9955 0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 1.6037 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 1.3008 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -0.0074 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 -0.9614 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 -0.6484 0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 -1.6241 0.0327 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 0.6567 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4783 1.1414 0.3735 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 -2.3696 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -3.2023 -0.3687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -2.7257 0.6254 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2195 -3.9696 0.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 -1.7125 0.0272 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1707 -2.0992 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 -1.4927 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 0.0129 -1.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4004 0.3697 -0.4788 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8312 1.7418 -0.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6151 1.8391 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 1.9607 -1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 -0.2920 0.5752 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1400 3.0351 1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 3.5442 1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0881 3.5076 -0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6364 2.1137 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -1.3643 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 -2.6486 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5822 -4.5303 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 -1.4236 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 -2.2444 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -3.1128 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2743 -1.9589 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 -1.8755 -1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 0.4982 -1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 0.2435 -2.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3552 -0.2520 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1561 2.5672 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 2.7588 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9633 1.7100 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 0.9843 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 2.3348 -2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5252 1.0442 -1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6278 2.7544 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -0.2030 1.5902 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 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 5 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 6 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 18 22 1 0 8 2 1 0 22 14 1 0 22 4 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 7 27 1 0 12 28 1 1 13 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 16 33 1 0 16 34 1 0 17 35 1 0 17 36 1 0 18 37 1 6 19 38 1 1 20 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 21 44 1 0 22 45 1 1 M END