BWA37E -OEChem-04022106343D 42 44 0 0 0 0 0 0 0999 V2000 -4.8299 -0.0027 -1.0224 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 -0.0168 0.4828 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5921 -1.2100 -0.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 -0.9838 -0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8495 0.9485 -1.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9277 -0.5966 -1.9946 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1569 0.8947 0.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 -0.8545 1.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -1.1573 0.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -1.0368 -0.3911 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 -1.0746 -0.0498 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 -3.1060 0.0213 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 0.1402 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8291 0.7752 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 0.3351 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 0.9247 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0928 -1.8074 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 0.7871 1.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 2.0571 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 1.1176 -1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 2.2868 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 -1.7756 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 2.0689 2.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 2.7039 1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 2.4797 -1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 3.0643 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 -3.1808 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 -3.7807 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 -1.6971 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -1.6132 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 0.3104 2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0419 2.5794 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 0.7016 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 2.7735 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 2.5716 2.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6663 3.7015 1.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9992 3.0834 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 4.1243 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 -3.7620 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -4.8529 0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1808 -0.9255 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 -0.5164 -1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 16 1 0 0 0 0 3 41 1 0 0 0 0 4 42 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 29 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 10 30 1 0 0 0 0 11 17 2 0 0 0 0 11 22 1 0 0 0 0 12 22 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 21 2 0 0 0 0 17 27 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 24 1 0 0 0 0 19 32 1 0 0 0 0 20 25 1 0 0 0 0 20 33 1 0 0 0 0 21 26 1 0 0 0 0 21 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 2 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$