BVDT20
-OEChem-04022110212D
28 28 0 0 0 0 0 0 0999 V2000
4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7500 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
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -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
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8162 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5762 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
2 7 1 0 0 0 0
2 13 1 0 0 0 0
3 13 2 0 0 0 0
4 5 1 0 0 0 0
4 8 1 0 0 0 0
4 15 1 0 0 0 0
4 16 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
6 7 1 0 0 0 0
6 9 2 0 0 0 0
7 10 2 0 0 0 0
8 19 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 11 1 0 0 0 0
9 22 1 0 0 0 0
10 12 1 0 0 0 0
10 23 1 0 0 0 0
11 12 2 0 0 0 0
11 24 1 0 0 0 0
12 25 1 0 0 0 0
13 14 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
14 28 1 0 0 0 0
M END
$$$$