D0K7RV
-OEChem-10101305022D
28 30 0 0 0 0 0 0 0999 V2000
4.9889 2.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.4214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.3106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 0.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1542 1.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 -0.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6419 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 0.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -2.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 -2.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 2 0 0 0 0
2 3 1 0 0 0 0
2 5 1 0 0 0 0
2 8 1 0 0 0 0
3 7 1 0 0 0 0
3 20 1 0 0 0 0
4 15 1 0 0 0 0
4 17 2 0 0 0 0
5 9 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 10 2 0 0 0 0
7 11 2 0 0 0 0
9 14 1 0 0 0 0
9 15 2 0 0 0 0
10 12 1 0 0 0 0
10 21 1 0 0 0 0
11 13 1 0 0 0 0
11 22 1 0 0 0 0
12 13 2 0 0 0 0
12 23 1 0 0 0 0
13 24 1 0 0 0 0
14 16 2 0 0 0 0
14 25 1 0 0 0 0
15 26 1 0 0 0 0
16 17 1 0 0 0 0
16 27 1 0 0 0 0
17 28 1 0 0 0 0
M END
$$$$