BHD8I2 -OEChem-04022105253D 40 44 0 0 0 0 0 0 0999 V2000 -2.6622 -3.8227 -0.3491 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 -1.3503 -0.8621 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 3.5656 -0.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0026 1.1779 -0.0422 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 -2.3701 0.4629 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 0.7028 0.7081 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4507 -0.0548 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 -0.0767 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5692 -1.1353 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -1.2306 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3534 1.2310 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 0.1154 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 0.5627 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 -0.7373 -0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7852 -0.1189 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 2.5608 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0919 0.5417 1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0838 -0.7583 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 -2.3290 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2275 -0.1408 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 3.0689 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 4.4762 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 4.7277 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 -4.6044 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0848 -3.6755 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5364 -0.7043 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 0.3783 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6472 -2.1713 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2556 0.2105 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 1.0792 1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 -1.2322 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 1.0439 1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -1.2653 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1021 2.5085 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8280 5.2146 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0955 5.6301 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2803 -5.6694 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1093 -3.9001 0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4784 -1.1324 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0885 0.9710 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 7 2 0 0 0 0 4 11 1 0 0 0 0 5 19 2 0 0 0 0 5 25 1 0 0 0 0 6 20 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$