BK9S3V
-OEChem-04022107572D
26 27 0 0 0 0 0 0 0999 V2000
4.6783 -1.0471 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.5129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5749 1.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5956 1.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3445 -0.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6542 -0.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 -2.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5719 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7988 -1.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 8 1 0 0 0 0
2 12 1 0 0 0 0
2 14 1 0 0 0 0
3 12 2 0 0 0 0
4 7 1 0 0 0 0
4 20 1 0 0 0 0
4 21 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 9 2 0 0 0 0
6 10 2 0 0 0 0
7 8 2 0 0 0 0
8 12 1 0 0 0 0
9 11 1 0 0 0 0
9 16 1 0 0 0 0
10 13 1 0 0 0 0
10 17 1 0 0 0 0
11 13 2 0 0 0 0
11 18 1 0 0 0 0
13 19 1 0 0 0 0
14 15 1 0 0 0 0
14 22 1 0 0 0 0
14 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
M END
$$$$