BDTX76
-OEChem-04012120132D
34 35 0 0 0 0 0 0 0999 V2000
4.5981 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 4.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -2.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -4.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -4.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1994 3.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9967 3.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7336 4.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
2 5 1 0 0 0 0
2 9 1 0 0 0 0
2 10 1 0 0 0 0
3 8 1 0 0 0 0
3 15 1 0 0 0 0
3 16 1 0 0 0 0
4 16 2 0 0 0 0
4 17 1 0 0 0 0
5 6 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 11 2 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
9 22 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
12 14 2 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
15 17 2 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
M END
$$$$