BD18MS
-OEChem-04022106192D
30 32 0 1 0 0 0 0 0999 V2000
5.0295 -1.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0350 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5295 -0.9481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5982 -0.9481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0684 -0.4481 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0684 -1.4481 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1173 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1173 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0146 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0146 -1.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5295 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0295 -0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4363 0.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6931 1.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8271 1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9136 1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0692 0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0692 -2.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3695 0.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5804 0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5804 -2.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3695 -2.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5520 0.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7636 0.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7636 -2.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5520 -2.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2182 -0.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0427 0.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7579 2.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 13 1 0 0 0 0
2 16 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 12 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
4 28 1 0 0 0 0
5 17 3 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 18 1 0 0 0 0
7 9 1 0 0 0 0
7 11 1 0 0 0 0
7 19 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
14 29 1 0 0 0 0
15 16 2 0 0 0 0
15 30 1 0 0 0 0
16 17 1 0 0 0 0
M END
$$$$