B8AY2O
-OEChem-04012116312D
26 25 0 0 0 0 0 0 0999 V2000
7.1962 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
2 3 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
3 4 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
4 8 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
6 17 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 9 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
M CHG 1 2 1
M END
$$$$