D0B4VE
-OEChem-10121500182D
29 31 0 1 0 0 0 0 0999 V2000
5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 3 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 0.7500 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
6.3301 -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
3.7320 1.7500 0.0000 C 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
7.2241 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 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
2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 -1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 -1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 8 1 0 0 0 0
2 6 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 18 1 0 0 0 0
4 6 1 0 0 0 0
4 19 1 0 0 0 0
4 20 1 0 0 0 0
5 9 2 0 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 11 2 0 0 0 0
8 12 2 0 0 0 0
9 15 1 0 0 0 0
9 21 1 0 0 0 0
10 16 2 0 0 0 0
10 22 1 0 0 0 0
11 13 1 0 0 0 0
11 23 1 0 0 0 0
12 14 1 0 0 0 0
12 24 1 0 0 0 0
13 14 2 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
15 17 2 0 0 0 0
15 27 1 0 0 0 0
16 17 1 0 0 0 0
16 28 1 0 0 0 0
17 29 1 0 0 0 0
M END
$$$$