BR3B6W -OEChem-04022116073D 42 44 0 1 0 0 0 0 0999 V2000 -0.3138 3.3733 -0.2090 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 -3.1227 -2.3652 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -0.2644 3.4807 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5652 0.5034 -0.7885 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 -0.3760 -1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 0.0084 1.9525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6071 -1.1540 1.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 1.6142 -1.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 0.8846 -0.3646 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -1.0613 -0.6843 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0157 1.2318 0.3193 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3411 -0.5866 0.7084 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9861 0.3506 1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 1.6908 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 -2.5750 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3635 -0.8850 1.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6982 -0.1852 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 -0.4149 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 1.6426 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7118 1.0034 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4895 -0.6705 -1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2979 3.0101 -0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2556 -1.0921 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6677 -1.3599 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -1.5658 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 -0.8171 -1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 2.0978 0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 0.4965 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4226 -0.5776 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 0.8776 2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5318 -3.1322 -0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -2.8556 -0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2487 -1.9654 1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 -0.4612 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2016 -0.5066 -2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 3.7942 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -1.2641 2.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2263 -0.9275 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2886 -1.7332 -2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9732 -2.0992 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 -2.7699 -3.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0519 -0.9560 3.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 41 1 0 0 0 0 3 16 1 0 0 0 0 3 42 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 38 1 0 0 0 0 8 20 2 0 0 0 0 9 14 2 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$