BN6S8B
-OEChem-04012118172D
31 32 0 0 0 0 0 0 0999 V2000
3.7320 4.9050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 3.9050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 3.9050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
2 17 1 0 0 0 0
3 17 1 0 0 0 0
4 12 2 0 0 0 0
5 9 1 0 0 0 0
5 12 1 0 0 0 0
5 25 1 0 0 0 0
6 18 1 0 0 0 0
6 30 1 0 0 0 0
6 31 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
8 13 2 0 0 0 0
8 14 1 0 0 0 0
8 17 1 0 0 0 0
9 15 2 0 0 0 0
9 16 1 0 0 0 0
10 13 1 0 0 0 0
10 21 1 0 0 0 0
11 14 2 0 0 0 0
11 22 1 0 0 0 0
13 23 1 0 0 0 0
14 24 1 0 0 0 0
15 19 1 0 0 0 0
15 26 1 0 0 0 0
16 20 2 0 0 0 0
16 27 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 28 1 0 0 0 0
20 29 1 0 0 0 0
M END
$$$$