BHC67B
-OEChem-04012118082D
47 49 0 1 0 0 0 0 0999 V2000
12.0016 0.3135 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.1006 0.9348 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.6724 2.5252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.3123 1.2640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.4113 1.8853 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3689 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -1.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 -1.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0511 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3618 1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 -1.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 -2.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -2.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -2.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -1.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -1.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9331 -2.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -1.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -1.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.1789 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 25 1 0 0 0 0
4 25 1 0 0 0 0
5 25 1 0 0 0 0
6 26 1 0 0 0 0
7 28 1 0 0 0 0
8 19 2 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 19 1 0 0 0 0
10 11 1 0 0 0 0
10 17 1 0 0 0 0
10 40 1 0 0 0 0
11 18 2 0 0 0 0
21 12 1 1 0 0 0
12 43 1 0 0 0 0
12 44 1 0 0 0 0
13 15 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 16 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 17 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
18 22 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
21 23 1 0 0 0 0
21 39 1 0 0 0 0
22 25 1 0 0 0 0
23 24 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
24 26 2 0 0 0 0
24 27 1 0 0 0 0
26 29 1 0 0 0 0
27 28 2 0 0 0 0
27 45 1 0 0 0 0
28 30 1 0 0 0 0
29 30 2 0 0 0 0
29 46 1 0 0 0 0
30 47 1 0 0 0 0
M END
$$$$