BWKQ39
-OEChem-04012120022D
38 40 0 1 0 0 0 0 0999 V2000
3.0000 -2.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0878 3.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8090 1.9139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1910 1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 1.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6622 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5524 1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2474 2.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6246 2.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 1.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 0.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3743 2.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0480 -0.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9150 2.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2518 0.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 16 1 0 0 0 0
1 22 1 0 0 0 0
2 8 1 0 0 0 0
2 10 1 0 0 0 0
3 10 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 1 0 0 0
6 23 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 1 0 0 0
7 24 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 17 1 0 0 0 0
12 27 1 0 0 0 0
13 18 2 0 0 0 0
13 28 1 0 0 0 0
14 19 1 0 0 0 0
14 29 1 0 0 0 0
15 20 2 0 0 0 0
15 30 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 31 1 0 0 0 0
18 32 1 0 0 0 0
19 21 2 0 0 0 0
19 33 1 0 0 0 0
20 21 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
22 37 1 0 0 0 0
22 38 1 0 0 0 0
M END
$$$$