B8V3WD
-OEChem-04012118082D
44 46 0 1 0 0 0 0 0999 V2000
12.0016 0.3916 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.3618 1.6528 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.1006 1.0129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4470 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -1.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 -1.0530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7404 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0511 0.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 -1.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 -2.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -2.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -2.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -1.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -1.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -1.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -1.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9331 -2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 21 1 0 0 0 0
3 21 1 0 0 0 0
4 23 1 0 0 0 0
5 25 1 0 0 0 0
6 17 2 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 17 1 0 0 0 0
8 9 1 0 0 0 0
8 15 1 0 0 0 0
8 39 1 0 0 0 0
9 19 2 0 0 0 0
18 10 1 1 0 0 0
10 40 1 0 0 0 0
10 41 1 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 14 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 15 2 0 0 0 0
14 19 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 26 1 0 0 0 0
24 25 2 0 0 0 0
24 42 1 0 0 0 0
25 27 1 0 0 0 0
26 27 2 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
M END
$$$$