B9BP6E -OEChem-04022107113D 42 45 0 0 0 0 0 0 0999 V2000 -7.7345 1.8044 0.0370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5709 2.4086 0.1976 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8751 -2.4528 0.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7063 2.8309 -0.6105 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 3.1099 0.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 -1.7466 0.1251 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1699 -0.2907 -0.0978 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 0.1721 -0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -3.0359 0.5022 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0397 2.3916 1.8406 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -1.1098 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 -2.0368 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 -1.1982 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9959 -1.6594 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0642 0.5400 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 -3.2065 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 0.2162 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 0.1606 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 0.7084 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8547 -2.0094 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3202 1.9390 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 -0.1027 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 -1.4616 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4984 -0.3669 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 1.2905 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8034 0.1243 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 1.7819 0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1242 1.1988 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -4.1733 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 0.8036 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -3.0696 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 1.9757 -1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4661 2.2740 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 2.6274 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3324 0.3011 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9318 -2.0927 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 -1.1980 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 1.7436 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5596 -0.3385 -1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3766 2.6166 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 2.5856 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 2.7742 2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 14 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 15 21 1 0 0 0 0 16 29 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$