BD10HW
-OEChem-04022105112D
38 40 0 1 0 0 0 0 0999 V2000
7.0468 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -1.2445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.4524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1808 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4487 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8472 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0502 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 0.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -0.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 1 0 0 0
1 28 1 0 0 0 0
2 3 1 0 0 0 0
2 7 1 0 0 0 0
2 14 1 0 0 0 0
3 4 2 0 0 0 0
4 21 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 6 0 0 0
5 8 1 0 0 0 0
5 22 1 0 0 0 0
6 9 1 0 0 0 0
6 23 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 15 1 0 0 0 0
10 26 1 0 0 0 0
11 16 2 0 0 0 0
11 27 1 0 0 0 0
12 18 1 0 0 0 0
12 29 1 0 0 0 0
13 19 2 0 0 0 0
13 30 1 0 0 0 0
14 21 2 0 0 0 0
14 31 1 0 0 0 0
15 17 2 0 0 0 0
15 32 1 0 0 0 0
16 17 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
18 20 2 0 0 0 0
18 35 1 0 0 0 0
19 20 1 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
M END
$$$$