BW68QZ
-OEChem-04012120012D
32 34 0 0 0 0 0 0 0999 V2000
5.5321 -1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9176 2.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 2.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -3.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -3.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 -2.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 -2.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1894 -2.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5880 -2.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -1.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 3.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5241 3.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7413 2.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 8 1 0 0 0 0
2 5 1 0 0 0 0
2 9 1 0 0 0 0
3 15 1 0 0 0 0
3 18 1 0 0 0 0
4 13 2 0 0 0 0
5 6 1 0 0 0 0
5 11 1 0 0 0 0
6 10 2 0 0 0 0
6 12 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 13 1 0 0 0 0
10 15 1 0 0 0 0
11 14 2 0 0 0 0
11 25 1 0 0 0 0
12 16 2 0 0 0 0
12 26 1 0 0 0 0
13 14 1 0 0 0 0
14 27 1 0 0 0 0
15 17 2 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
18 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
M END
$$$$