BA58QS -OEChem-04022101343D 22 23 0 0 0 0 0 0 0999 V2000 -1.5477 -2.2057 -0.0003 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7412 -2.1182 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6481 -0.3181 -1.0978 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6484 -0.3181 1.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 2.0317 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3154 1.7886 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 0.5122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6194 -1.5347 -0.0002 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0497 -0.2108 -0.0001 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0937 0.5336 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 0.7873 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5927 0.4105 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5927 0.4100 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -0.1356 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 0.0402 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9655 0.1638 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9656 0.1633 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.5038 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 0.5029 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 0.0735 -2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.0727 2.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9829 2.5517 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 14 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 M CHG 4 1 -1 3 -1 8 1 9 1 M END $$$$