B2J5AI
-OEChem-04022110182D
37 39 0 1 0 0 0 0 0999 V2000
4.9889 2.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.0306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 2.7626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7619 -3.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.0306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.7619 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9519 1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8695 2.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1793 2.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6419 -0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8819 -0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8819 2.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9519 3.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 11 2 0 0 0 0
3 18 2 0 0 0 0
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4 10 1 0 0 0 0
4 11 1 0 0 0 0
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5 36 1 0 0 0 0
5 37 1 0 0 0 0
6 24 3 0 0 0 0
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7 9 1 0 0 0 0
7 25 1 0 0 0 0
8 18 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 14 2 0 0 0 0
9 15 1 0 0 0 0
10 12 1 0 0 0 0
11 13 1 0 0 0 0
12 13 1 0 0 0 0
12 16 2 0 0 0 0
13 17 2 0 0 0 0
14 21 1 0 0 0 0
14 28 1 0 0 0 0
15 22 2 0 0 0 0
15 29 1 0 0 0 0
16 19 1 0 0 0 0
16 30 1 0 0 0 0
17 20 1 0 0 0 0
17 31 1 0 0 0 0
19 20 2 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
21 23 2 0 0 0 0
21 34 1 0 0 0 0
22 23 1 0 0 0 0
22 35 1 0 0 0 0
23 24 1 0 0 0 0
M END
$$$$