BTDQ92
-OEChem-04012113312D
34 35 0 0 0 0 0 0 0999 V2000
3.7320 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 3.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 4.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -2.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -3.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -4.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 -4.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3005 2.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0818 2.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6837 3.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5965 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 8 1 0 0 0 0
2 3 1 0 0 0 0
2 9 1 0 0 0 0
3 17 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 10 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 9 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 15 2 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 13 1 0 0 0 0
11 27 1 0 0 0 0
12 14 2 0 0 0 0
12 28 1 0 0 0 0
13 29 1 0 0 0 0
14 30 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
16 31 1 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
M END
$$$$