BWOH67
-OEChem-04012113062D
44 47 0 0 0 0 0 0 0999 V2000
2.8660 -2.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9490 -1.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9490 2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3979 -0.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3979 1.2659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -3.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 13 1 0 0 0 0
1 24 1 0 0 0 0
2 27 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 2 0 0 0 0
6 11 2 0 0 0 0
6 12 1 0 0 0 0
7 14 2 0 0 0 0
7 15 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 16 2 0 0 0 0
9 11 1 0 0 0 0
9 17 2 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 18 1 0 0 0 0
14 30 1 0 0 0 0
15 19 2 0 0 0 0
15 31 1 0 0 0 0
16 22 1 0 0 0 0
16 32 1 0 0 0 0
17 23 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
20 25 1 0 0 0 0
20 36 1 0 0 0 0
21 26 2 0 0 0 0
21 37 1 0 0 0 0
22 23 2 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
25 27 2 0 0 0 0
25 43 1 0 0 0 0
26 27 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$