BWUM91 -OEChem-04042107183D 22 21 0 1 0 0 0 0 0999 V2000 1.7404 -1.2161 -1.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5396 0.4629 0.2481 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2194 1.7387 0.3626 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -0.5481 0.2841 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1789 0.4688 -0.3680 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2732 -0.1036 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -0.8867 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 0.1453 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -0.0611 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7323 -1.4832 -0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 0.6677 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4091 0.7957 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8743 -0.8876 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 -1.2484 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 -0.0307 2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 -1.6857 2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3903 1.0080 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9317 0.3495 -1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -0.7289 -1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4868 1.5898 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7081 2.1589 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 -1.5572 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 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 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$