D0ZD4M
-OEChem-10101305032D
31 33 0 0 0 0 0 0 0999 V2000
4.9889 1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -2.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.2774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 -1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8819 -0.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
2 8 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
4 10 1 0 0 0 0
4 27 1 0 0 0 0
4 28 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 14 2 0 0 0 0
11 15 2 0 0 0 0
11 20 1 0 0 0 0
12 17 1 0 0 0 0
12 21 1 0 0 0 0
13 18 2 0 0 0 0
13 22 1 0 0 0 0
14 15 1 0 0 0 0
14 23 1 0 0 0 0
15 24 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
16 19 1 0 0 0 0
17 25 1 0 0 0 0
18 26 1 0 0 0 0
19 29 1 0 0 0 0
19 30 1 0 0 0 0
19 31 1 0 0 0 0
M END
$$$$