DR2228 -OEChem-05042003163D 50 52 0 1 0 0 0 0 0999 V2000 -4.6267 0.0257 -2.6522 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 2.0388 1.5813 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 0.2229 0.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -0.1357 -2.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -1.5943 -0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0642 1.3644 0.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 -2.3998 -1.7625 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3112 2.7454 1.9992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 2.5641 1.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -1.3666 1.2354 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5579 -0.0722 -0.4529 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1575 -0.3976 -0.8844 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8790 0.9313 -0.1812 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8640 -1.0561 -1.3651 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7685 0.7742 0.8500 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8134 -1.0882 -0.2547 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3088 2.1059 1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -1.6819 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -2.2324 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -2.3320 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7757 -1.2717 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 -3.5087 0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 -1.3896 1.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2377 -3.6264 1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -2.5670 1.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 1.1282 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2718 1.2854 -1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0335 2.1764 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9942 2.4754 -1.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 3.3663 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 3.5159 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 -1.0825 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 1.6989 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 -0.5329 -2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0659 0.1695 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 -1.7665 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 0.2896 -1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3016 0.6919 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -2.3653 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 -3.2370 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -1.6388 -1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0296 3.6237 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -4.3403 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6292 -0.5811 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6039 0.0554 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4172 -4.5430 2.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0222 -2.6590 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7615 2.6085 -2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 4.1870 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2986 4.4424 -0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 12 1 0 0 0 0 4 37 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 38 1 0 0 0 0 7 14 1 0 0 0 0 7 39 1 0 0 0 0 8 17 1 0 0 0 0 8 42 1 0 0 0 0 9 17 2 0 0 0 0 10 18 2 0 0 0 0 11 21 1 0 0 0 0 11 26 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 M END $$$$