B94ESP -OEChem-04042104443D 33 36 0 0 0 0 0 0 0999 V2000 -3.5772 -0.8059 0.1709 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 -0.9831 -0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 3.3354 0.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3408 0.0307 0.0162 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3489 1.7080 0.0357 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 1.1873 0.0257 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 -1.3730 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3885 -2.3218 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0156 0.4385 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 -0.5869 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 -1.8842 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3504 1.0466 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -1.8508 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 -3.6955 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5311 -0.1869 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 -3.2200 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8831 1.5345 1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 1.5477 -1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2169 -4.1415 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6582 2.1359 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8665 2.5235 1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 2.5367 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3168 3.0246 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 -2.6576 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 -4.4307 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 -3.5980 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 1.1557 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3921 1.1753 -2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4319 -5.2058 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 1.5439 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 2.9039 2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1348 2.9267 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0825 3.7945 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 15 2 0 0 0 0 3 20 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 5 20 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 24 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 14 19 2 0 0 0 0 14 25 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 18 22 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 21 23 2 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 M END $$$$