RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 -4.1012 -1.0503 -1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9276 -0.7263 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 0.5039 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 0.7231 1.0974 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8644 -0.5838 1.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 -1.7774 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 -1.8657 0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -3.0112 1.7309 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 -0.5001 2.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 -0.4204 3.6009 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2335 1.4926 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1961 2.8014 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 2.8785 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 1.6143 -0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 0.7829 -0.3966 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 1.0306 -1.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 -0.4008 -1.6276 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -1.0461 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 -0.4124 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 -1.1635 1.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1488 -2.5534 1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.1998 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -2.4490 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 -3.4002 -2.0014 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 1.7439 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4934 2.6401 0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2995 1.7579 -1.6372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 2.9716 -2.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 -0.2259 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7556 -1.3198 -2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6552 -1.9056 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7217 1.3313 1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 -3.7281 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0357 -3.0330 2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 3.5951 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 3.7457 -0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 1.4302 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 1.3007 -2.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 0.6667 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 -0.6604 2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5439 -3.1284 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5385 -4.2846 0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 2.8454 -3.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8209 3.1925 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 3.7979 -1.9906 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 1 0 5 6 2 0 6 7 1 0 6 8 1 0 5 9 1 0 9 10 3 0 4 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 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 23 24 1 0 3 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 7 2 1 0 15 11 1 0 23 18 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 1 8 33 1 0 8 34 1 0 12 35 1 0 13 36 1 0 16 37 1 0 16 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 28 43 1 0 28 44 1 0 28 45 1 0 M END