BXE8K4
-OEChem-04012118082D
43 45 0 1 0 0 0 0 0999 V2000
12.0016 1.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.3618 3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.1006 2.4630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -0.4076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0511 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 22 1 0 0 0 0
3 22 1 0 0 0 0
4 23 1 0 0 0 0
5 25 1 0 0 0 0
6 9 1 0 0 0 0
6 20 1 0 0 0 0
7 18 2 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
8 18 1 0 0 0 0
9 15 2 0 0 0 0
17 10 1 6 0 0 0
10 39 1 0 0 0 0
10 40 1 0 0 0 0
11 12 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 1 0 0 0 0
14 20 2 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
17 19 1 0 0 0 0
17 36 1 0 0 0 0
19 21 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 22 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
23 26 1 0 0 0 0
24 25 2 0 0 0 0
24 41 1 0 0 0 0
25 27 1 0 0 0 0
26 27 2 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$