B28FAD -OEChem-04012116312D 52 54 0 1 0 0 0 0 0999 V2000 2.0933 4.9630 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.4403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -4.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.3470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.6530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.1530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5827 2.8470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4487 2.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5502 2.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 2.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 2.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -0.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -0.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 3.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 4.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -1.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -1.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -3.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -3.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1774 0.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3803 0.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 -1.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -4.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -2.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 -0.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 -1.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 20 2 0 0 0 0 6 23 1 0 0 0 0 6 49 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 39 1 0 0 0 0 10 8 1 1 0 0 0 8 20 1 0 0 0 0 8 40 1 0 0 0 0 9 17 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 1 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$