BHO69W
-OEChem-04022105162D
32 34 0 0 0 0 0 0 0999 V2000
8.8600 0.1690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1690 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3310 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8600 0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3600 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3600 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8600 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8600 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3600 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8600 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4690 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7774 -0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4676 -1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5500 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1700 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9800 -0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1700 0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 15 1 0 0 0 0
2 21 1 0 0 0 0
3 21 1 0 0 0 0
4 13 1 0 0 0 0
4 21 1 0 0 0 0
5 8 1 0 0 0 0
5 10 1 0 0 0 0
5 22 1 0 0 0 0
6 9 1 0 0 0 0
6 10 2 0 0 0 0
7 16 1 0 0 0 0
7 20 2 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
11 13 2 0 0 0 0
11 23 1 0 0 0 0
12 14 2 0 0 0 0
12 24 1 0 0 0 0
13 14 1 0 0 0 0
14 25 1 0 0 0 0
15 16 1 0 0 0 0
15 26 1 0 0 0 0
15 27 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
17 28 1 0 0 0 0
18 19 2 0 0 0 0
18 29 1 0 0 0 0
19 20 1 0 0 0 0
19 30 1 0 0 0 0
20 31 1 0 0 0 0
21 32 1 0 0 0 0
M END
$$$$