RDKit 3D 55 58 0 0 0 0 0 0 0 0999 V2000 5.1595 2.1473 -0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1266 1.0729 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 0.8780 -2.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6005 -0.1379 -2.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -0.8730 -1.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.6735 -0.2693 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6566 0.2353 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0711 0.1646 1.2334 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -0.7674 1.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -1.2494 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 -2.1241 1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 -2.8302 2.3138 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -1.9841 0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 -2.7469 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 -2.2826 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 -2.7257 -1.3312 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -1.2520 0.3516 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 -1.0209 1.1896 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6159 0.4213 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 1.0679 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2357 2.3638 2.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 3.0227 1.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 2.4030 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 1.1081 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 4.7678 1.1353 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -0.7890 0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 0.5290 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 0.3685 -1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5178 -0.2657 -1.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6181 -0.9001 -2.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0839 -3.6690 -1.0951 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4396 -1.0812 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 2.7988 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.7798 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1349 1.6980 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 1.4788 -3.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -0.2926 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 -1.6469 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -1.3251 2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 0.5524 3.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 2.8396 3.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 2.9053 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6434 0.6177 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3059 -1.5703 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6198 -0.6677 1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8776 0.9030 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 1.2796 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3086 1.3567 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 -0.1908 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6257 -1.3133 -2.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4553 -0.1744 -3.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8983 -1.7197 -2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -0.8057 3.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2877 -0.5302 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 -2.1501 3.4067 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 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 22 25 1 0 17 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 14 31 1 0 9 32 1 0 7 2 1 0 10 6 1 0 18 13 1 0 24 19 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 18 39 1 1 20 40 1 0 21 41 1 0 23 42 1 0 24 43 1 0 26 44 1 0 26 45 1 0 27 46 1 0 27 47 1 0 28 48 1 0 28 49 1 0 30 50 1 0 30 51 1 0 30 52 1 0 32 53 1 0 32 54 1 0 32 55 1 0 M CHG 1 31 -1 M END