BXJ50M
-OEChem-04022106182D
26 28 0 0 0 0 0 0 0999 V2000
9.2619 -0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.0018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 -1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5719 -0.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 26 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 17 1 0 0 0 0
3 5 2 0 0 0 0
3 6 1 0 0 0 0
4 6 1 0 0 0 0
4 8 2 0 0 0 0
5 7 1 0 0 0 0
6 9 2 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 12 1 0 0 0 0
8 18 1 0 0 0 0
9 13 1 0 0 0 0
9 19 1 0 0 0 0
10 14 1 0 0 0 0
10 20 1 0 0 0 0
11 15 2 0 0 0 0
11 21 1 0 0 0 0
12 13 2 0 0 0 0
12 22 1 0 0 0 0
13 23 1 0 0 0 0
14 16 2 0 0 0 0
14 24 1 0 0 0 0
15 16 1 0 0 0 0
15 25 1 0 0 0 0
M END
$$$$