BI29HX -OEChem-04022113573D 53 56 0 1 0 0 0 0 0999 V2000 -3.6284 -3.3292 1.9921 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3055 2.3468 2.3023 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 -0.6548 0.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3371 -3.5677 -0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8008 -2.2658 -2.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 0.8312 0.7176 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3388 2.9754 -1.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1817 -0.5823 0.2179 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 1.2060 -0.3287 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0367 1.2852 0.1327 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5661 -2.0171 1.1047 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -0.9231 1.0067 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8935 2.6839 -0.3858 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 -2.3254 -0.8258 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9239 -1.4931 -1.4435 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3949 -1.4700 0.3888 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6040 -0.9117 -0.2149 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7153 -2.7029 -1.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3647 0.3737 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1072 -0.8826 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 0.6821 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 0.2388 0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4654 1.2914 0.3652 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2125 0.1926 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1865 0.6269 -0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0069 2.7072 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2967 1.7447 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 -1.9437 1.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 1.9751 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 3.9086 -0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 -2.0815 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 -0.6948 -2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2823 -1.6394 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 -3.2668 -1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -3.3544 -2.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 -1.8248 -2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 1.1411 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1498 0.1891 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -4.0380 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5142 -1.6805 -2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 1.1700 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6921 0.8379 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1936 0.3372 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6978 -0.2622 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 2.0781 -0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9352 2.7926 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3067 3.4678 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4191 1.7752 -2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1911 1.6570 -2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4698 2.3442 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2236 4.6799 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6275 4.2314 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6965 3.7216 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 29 2 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 39 1 0 0 0 0 5 15 1 0 0 0 0 5 40 1 0 0 0 0 6 19 1 0 0 0 0 6 29 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 21 2 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 45 1 0 0 0 0 11 20 2 0 0 0 0 11 28 1 0 0 0 0 12 24 1 0 0 0 0 12 28 2 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$