RDKit 3D 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0192 -3.9296 1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3078 -3.4772 1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4896 -2.2538 0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -1.5144 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 -1.9495 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -3.1637 0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 -1.1522 -0.1136 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0224 -0.1838 -1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 0.0880 -1.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 0.4724 -1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 1.5388 -1.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 1.9420 -1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9284 1.2637 -0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 0.1816 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -0.1844 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3131 -1.2475 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -2.0060 1.2514 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3188 1.6959 -0.4756 N 0 0 0 0 0 4 0 0 0 0 0 0 7.9962 1.0859 0.3632 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7345 2.6372 -1.1654 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.8795 -1.7505 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 -2.5665 -0.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0103 -0.3900 0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 0.4345 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3961 -0.0738 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4997 0.7732 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3563 2.1353 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1188 2.6589 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 1.8225 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 2.4429 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6598 1.6538 0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 3.6989 1.0482 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.8524 3.2792 -0.2056 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1277 -4.8723 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -4.0590 1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5462 -0.5655 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0727 -3.5575 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 2.0428 -2.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5076 2.7838 -2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 -0.3556 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 0.1514 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5355 -1.1316 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4598 0.3555 -0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 3.7261 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 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 13 18 1 0 18 19 2 0 18 20 1 0 3 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 25 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 27 33 1 0 6 1 1 0 16 7 1 0 15 10 1 0 29 24 1 0 1 34 1 0 2 35 1 0 4 36 1 0 6 37 1 0 11 38 1 0 12 39 1 0 14 40 1 0 23 41 1 0 25 42 1 0 26 43 1 0 28 44 1 0 M CHG 3 18 1 20 -1 32 -1 M END