BJO86C
-OEChem-04012115402D
29 32 0 0 0 0 0 0 0999 V2000
3.4030 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3980 2.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7991 -1.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1001 3.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1001 -3.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8407 2.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3980 -2.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0290 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0290 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2677 1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9912 2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9912 -2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2677 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1198 2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1198 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5179 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3934 3.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3372 -0.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6308 3.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6308 -3.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 17 1 0 0 0 0
2 14 1 0 0 0 0
2 18 1 0 0 0 0
3 16 1 0 0 0 0
3 25 1 0 0 0 0
4 17 1 0 0 0 0
4 26 1 0 0 0 0
5 18 1 0 0 0 0
5 27 1 0 0 0 0
6 22 1 0 0 0 0
6 28 1 0 0 0 0
7 23 1 0 0 0 0
7 29 1 0 0 0 0
8 19 2 0 0 0 0
9 21 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 14 2 0 0 0 0
11 13 1 0 0 0 0
11 15 2 0 0 0 0
12 16 1 0 0 0 0
12 17 2 0 0 0 0
13 18 2 0 0 0 0
13 20 1 0 0 0 0
14 19 1 0 0 0 0
15 21 1 0 0 0 0
16 22 2 0 0 0 0
19 22 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 23 1 0 0 0 0
M END
$$$$