BAS40I
-OEChem-04022101052D
36 37 0 1 0 0 0 0 0999 V2000
6.7619 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -1.0976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.2315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7619 -0.2315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6783 1.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4519 0.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1419 -0.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 2.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 -0.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 -0.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6793 -1.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3695 -1.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7988 0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5719 1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 0.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5719 -1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6419 -1.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -1.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8819 -1.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0 0 0 0
2 7 1 0 0 0 0
2 8 1 0 0 0 0
2 9 1 0 0 0 0
6 3 1 6 0 0 0
3 29 1 0 0 0 0
3 30 1 0 0 0 0
4 12 1 0 0 0 0
4 17 2 0 0 0 0
5 6 1 0 0 0 0
5 10 1 0 0 0 0
5 13 1 1 0 0 0
5 18 1 0 0 0 0
6 9 1 0 0 0 0
6 19 1 0 0 0 0
7 11 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 12 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
10 14 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 12 2 0 0 0 0
11 15 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 16 2 0 0 0 0
15 34 1 0 0 0 0
16 17 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
M END
$$$$