B5TYP2
-OEChem-04022101052D
37 38 0 1 0 0 0 0 0999 V2000
2.8660 2.1345 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.1345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -1.5976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.7315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7619 -0.7315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6783 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4519 -0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1419 -0.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 1.5061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 -1.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 -0.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6793 -1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3695 -2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7988 -0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5719 0.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 0.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5719 -2.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6419 -1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8819 -1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
2 9 2 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
6 4 1 6 0 0 0
4 30 1 0 0 0 0
4 31 1 0 0 0 0
5 6 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 6 0 0 0
5 19 1 0 0 0 0
6 9 1 0 0 0 0
6 20 1 0 0 0 0
7 10 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 11 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
10 11 2 0 0 0 0
10 14 1 0 0 0 0
11 15 1 0 0 0 0
12 16 1 0 0 0 0
12 25 1 0 0 0 0
12 26 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 17 2 0 0 0 0
15 18 2 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 18 1 0 0 0 0
17 36 1 0 0 0 0
18 37 1 0 0 0 0
M END
$$$$