BDSH43 -OEChem-04022114043D 42 44 0 1 0 0 0 0 0999 V2000 1.1362 2.0030 0.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -0.2254 -0.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0589 0.1734 1.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 1.6884 -0.1449 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5715 1.0456 -0.5378 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3259 1.6100 1.1206 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1318 0.6831 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3149 1.1863 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6936 -0.1286 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -1.3804 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 2.8521 1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5234 1.8720 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0952 0.8296 -1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9127 -0.3195 0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 1.1864 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0147 -1.7786 -0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 -2.1932 1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7315 3.3222 -0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8395 -0.0264 -1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -1.1755 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6205 -1.0290 -1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -2.9894 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 -3.4039 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6712 -3.8021 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 1.0931 2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3942 3.4416 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 2.5931 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5031 3.5040 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 2.6381 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5054 1.6100 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9505 -0.4431 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7506 -1.1591 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0944 -1.8971 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 3.6882 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7939 3.5776 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 3.8613 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8133 0.0892 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 -1.9560 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 -1.6951 -2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -3.2990 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 -4.0364 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 -4.7446 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 15 2 0 0 0 0 4 8 1 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 14 20 2 0 0 0 0 14 31 1 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 23 2 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 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$