RDKit 3D 50 55 0 0 0 0 0 0 0 0999 V2000 3.6465 -0.7899 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 -0.2551 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0537 0.5538 1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 0.8215 2.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6977 0.2787 2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5128 -0.5310 0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2328 -1.0784 0.6441 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9189 -1.6092 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -1.5100 -1.6484 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 -2.2649 -0.4990 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3864 -2.0144 -1.6314 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1227 -2.0887 -3.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2445 -1.1929 -3.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7308 -0.2911 -2.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 -0.5538 -1.4748 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.9237 -0.3539 0.0237 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0708 -1.4942 0.6580 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1083 -1.0136 1.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -0.5991 2.5806 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 1.0757 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6049 1.9078 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 3.2069 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8539 3.6705 1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 2.8372 1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 1.5574 1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 0.5853 1.0618 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4116 -0.5790 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0615 -1.5905 0.2519 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 4.3541 0.6445 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 1.1209 1.9618 N 0 0 0 0 0 4 0 0 0 0 0 0 7.3145 0.8462 1.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4433 1.8414 2.9659 O 0 0 0 0 0 1 0 0 0 0 0 0 3.6026 -1.4325 -0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7538 -0.4859 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0429 1.4470 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 0.5348 2.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 -3.3296 -0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 -2.5721 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 -3.1103 -3.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1513 -1.6725 -3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8719 -0.5982 -4.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 -1.8005 -4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7135 0.7741 -2.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -0.5968 -2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8867 0.0046 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -2.1762 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 1.5839 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 4.6850 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 3.1970 2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7858 0.7008 1.4427 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 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 15 1 6 16 17 1 0 17 18 1 0 18 19 2 0 16 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 22 29 1 0 3 30 1 0 30 31 2 0 30 32 1 0 6 1 1 0 18 7 1 0 17 10 1 0 15 11 1 0 27 16 1 0 25 20 1 0 1 33 1 0 2 34 1 0 4 35 1 0 5 36 1 0 10 37 1 1 11 38 1 1 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 17 46 1 1 21 47 1 0 23 48 1 0 24 49 1 0 26 50 1 0 M CHG 3 15 1 30 1 32 -1 M END