BU48IR -OEChem-04022104533D 36 38 0 0 0 0 0 0 0999 V2000 8.9842 1.1389 -0.0011 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 -2.5691 0.0004 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 -1.1011 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 0.4860 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0995 3.3330 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8375 2.8543 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 -1.8267 0.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -2.7228 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -3.3188 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 -0.3220 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6845 0.9880 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2384 -1.4289 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5377 -0.5620 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5794 2.0579 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9535 1.8179 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4326 0.5079 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 -2.3349 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3317 0.6361 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 -0.8634 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0254 0.7081 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0249 0.7139 1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 -0.8500 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 0.8580 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4117 0.8638 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1053 0.9359 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 1.1993 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9331 -1.5749 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5006 0.3068 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6714 -0.3488 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 -0.3502 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 0.6485 -2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 0.6588 2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 0.9125 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9366 0.9229 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1273 3.3073 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7427 2.4985 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 14 1 0 0 0 0 5 35 1 0 0 0 0 6 15 1 0 0 0 0 6 36 1 0 0 0 0 7 22 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 17 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 24 2 0 0 0 0 21 32 1 0 0 0 0 23 25 2 0 0 0 0 23 33 1 0 0 0 0 24 25 1 0 0 0 0 24 34 1 0 0 0 0 M END $$$$