RDKit 3D 50 53 0 0 0 0 0 0 0 0999 V2000 -5.2539 2.7311 -1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3993 1.9974 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8157 0.7801 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1008 0.3092 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9627 1.0488 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5327 2.2562 -1.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6866 3.2549 -2.5123 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.6243 -0.8486 0.4584 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6419 -1.7898 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 -1.2805 1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 -2.0140 2.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 0.0206 1.1391 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7723 0.5659 1.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 0.1492 0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 0.9091 0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -1.1544 1.1101 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3031 -1.8328 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1232 -1.3515 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 -1.7391 -1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -1.2935 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 -0.4575 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -0.1240 0.8655 N 0 0 0 0 0 4 0 0 0 0 0 0 1.7119 -0.5367 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 0.0229 -0.1908 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7324 0.7587 0.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2017 0.7539 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1331 0.7571 -1.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 -0.1695 -1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9113 3.6717 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4061 2.4021 -0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9618 0.6739 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3756 -2.3922 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1096 -2.4584 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8117 1.6548 1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 0.1798 2.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 -1.7433 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7921 -1.7278 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 -2.8939 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5085 -2.3831 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8215 -1.6120 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3586 0.5004 1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1934 -0.1778 1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3455 1.7829 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6037 0.2812 1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7516 1.6077 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6869 -0.1652 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0597 0.4177 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 1.7688 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2902 -1.2127 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4866 0.1021 -2.2889 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 6 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 12 3 1 0 23 18 1 0 28 24 1 0 1 29 1 0 2 30 1 0 5 31 1 0 9 32 1 0 9 33 1 0 13 34 1 0 13 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 19 39 1 0 20 40 1 0 22 41 1 0 23 42 1 0 25 43 1 0 25 44 1 0 26 45 1 0 26 46 1 0 27 47 1 0 27 48 1 0 28 49 1 0 28 50 1 0 M CHG 1 22 1 M END