B9THV7 -OEChem-04042103353D 43 46 0 0 0 0 0 0 0999 V2000 1.2960 -4.3916 0.7389 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 2.1532 0.4992 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 -2.2963 -0.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -3.7853 0.0924 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7778 0.3213 -1.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -0.8284 -2.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 0.8239 0.9533 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 -0.2153 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 -1.3769 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 0.0331 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8939 1.1947 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 -0.3065 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 1.1131 0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 -1.2952 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 -2.6297 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0018 0.1243 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 2.4476 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -1.5569 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6136 1.3748 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 -2.7160 0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 2.5339 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 1.0653 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0655 1.4717 -0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4046 0.4151 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 1.9552 1.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7626 0.6548 -0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7784 2.1952 1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 1.5449 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -0.0238 -1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5949 -0.7710 -0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 3.3675 0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 -1.6482 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 1.5972 1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3365 3.5130 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5037 2.3915 -0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6229 0.6352 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2072 1.4630 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -0.2590 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 2.4675 2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -3.6049 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 2.8882 2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5066 1.7607 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2405 -0.1415 -2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 15 1 0 0 0 0 4 40 1 0 0 0 0 5 29 1 0 0 0 0 5 43 1 0 0 0 0 6 29 2 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 15 20 2 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$