BT5BO8 -OEChem-04042101423D 54 57 0 1 0 0 0 0 0999 V2000 -6.8889 0.1233 2.2528 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 2.9056 -0.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1538 0.9382 0.9341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7059 5.0649 -2.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6602 -0.9297 1.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6249 0.0209 0.2445 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1922 0.0723 -0.1632 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6116 1.0195 1.1469 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7618 -0.7484 -0.5714 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 -1.3396 -1.0335 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8527 -0.9967 -1.4566 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 -0.5159 -0.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4615 -4.1085 0.0532 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 1.1322 0.2179 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6624 2.4574 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 4.1418 0.0965 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4890 0.4250 0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 0.2119 0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9889 -0.0404 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 -0.3734 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7677 4.8112 -1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 3.8711 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3081 1.2611 1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8374 -0.5075 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -1.4544 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2997 -0.8070 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9352 -0.5074 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -1.9200 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1254 -1.0440 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0270 -1.5098 -1.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1805 -1.5568 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2825 -2.7901 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4185 -1.3844 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 -2.5244 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5444 -3.3978 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 1.1674 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 2.3373 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 3.2060 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4305 4.8027 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 4.1565 -1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 5.7617 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 3.1094 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 4.7828 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 3.5003 2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 2.0371 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3197 0.8688 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4116 -2.2148 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0985 5.4892 -2.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3568 -2.1916 1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0179 -1.0699 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0173 -1.8968 -2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0972 -1.9799 -1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -3.6712 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2738 -1.1204 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 4 48 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 19 1 0 0 0 0 7 26 1 0 0 0 0 7 46 1 0 0 0 0 8 23 2 0 0 0 0 9 18 2 0 0 0 0 9 25 1 0 0 0 0 10 20 1 0 0 0 0 10 25 2 0 0 0 0 11 24 1 0 0 0 0 11 30 2 0 0 0 0 12 26 2 0 0 0 0 12 33 1 0 0 0 0 13 35 3 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 32 2 0 0 0 0 28 49 1 0 0 0 0 29 31 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 35 1 0 0 0 0 M END $$$$