BJ72WC
-OEChem-04012113122D
22 22 0 0 0 0 0 0 0999 V2000
2.8660 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 15 1 0 0 0 0
2 14 1 0 0 0 0
3 14 1 0 0 0 0
4 14 1 0 0 0 0
5 7 1 0 0 0 0
5 13 1 0 0 0 0
6 13 2 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
8 10 2 0 0 0 0
9 11 1 0 0 0 0
9 16 1 0 0 0 0
10 12 1 0 0 0 0
10 17 1 0 0 0 0
11 12 2 0 0 0 0
11 18 1 0 0 0 0
12 19 1 0 0 0 0
13 14 1 0 0 0 0
15 20 1 0 0 0 0
15 21 1 0 0 0 0
15 22 1 0 0 0 0
M END
$$$$