BR1U7W -OEChem-04022101192D 44 47 0 1 0 0 0 0 0999 V2000 5.4689 -1.5149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 3.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4689 0.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -1.2924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0601 -0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 0.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 -0.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 -3.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 -1.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -3.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -3.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 2.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 1.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 -0.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 0.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 3.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 2.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6987 -1.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5753 -0.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5753 -0.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 -3.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6551 -1.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8388 -4.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -2.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -2.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 2.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6551 0.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 1.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 -1.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 0.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -4.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 -4.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -4.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 1.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 3.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 4.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 22 1 0 0 0 0 2 44 1 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 2 0 0 0 0 9 17 2 0 0 0 0 9 19 1 0 0 0 0 10 18 2 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 22 1 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 24 2 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$