B13WBR
-OEChem-04012113242D
31 32 0 0 0 0 0 0 0999 V2000
3.7320 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 2.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2694 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
2.0000 -3.7694 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
4.5981 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -3.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -4.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8628 2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3285 4.2710 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 3 1 0 0 0 0
2 13 1 0 0 0 0
3 16 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
5 8 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 10 1 0 0 0 0
7 11 2 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 10 2 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
10 26 1 0 0 0 0
11 14 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 15 2 0 0 0 0
14 29 1 0 0 0 0
15 16 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
M END
$$$$