BJ0OZ2
-OEChem-04022106382D
49 52 0 0 0 0 0 0 0999 V2000
5.0649 2.4067 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.3888 0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5765 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1124 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7105 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7105 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9724 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8739 1.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 1.7681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8958 0.7976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5765 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4426 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4426 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5765 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5765 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3888 2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7105 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9785 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6994 3.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7105 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9785 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9785 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 1.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1124 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7886 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1871 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2430 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4460 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2474 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2888 3.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8921 3.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1101 3.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4415 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0368 1.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5961 2.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9513 3.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0648 3.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 2.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9352 2.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4924 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1124 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7324 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
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2 7 1 0 0 0 0
2 13 1 0 0 0 0
3 15 2 0 0 0 0
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27 28 1 0 0 0 0
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28 44 1 0 0 0 0
28 45 1 0 0 0 0
28 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
29 49 1 0 0 0 0
M END
$$$$