BBSU72
-OEChem-04012115492D
36 39 0 0 0 0 0 0 0999 V2000
5.0768 -1.9579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4448 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9836 -0.1783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4617 -0.8364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9766 -1.1466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5662 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6527 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2983 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4323 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4836 -1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0303 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1643 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0303 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2983 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1643 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9766 0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 0.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5602 -0.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4323 1.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9225 -1.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1643 1.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7614 -1.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1643 -1.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 -1.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1692 1.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 1.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 -1.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1802 -0.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9055 1.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 0.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 7 1 0 0 0 0
2 35 1 0 0 0 0
3 7 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
4 6 1 0 0 0 0
4 11 1 0 0 0 0
4 25 1 0 0 0 0
5 14 2 0 0 0 0
5 22 1 0 0 0 0
6 7 2 0 0 0 0
6 9 1 0 0 0 0
8 9 2 0 0 0 0
8 13 1 0 0 0 0
8 15 1 0 0 0 0
9 24 1 0 0 0 0
10 17 2 0 0 0 0
10 18 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
12 19 1 0 0 0 0
13 26 1 0 0 0 0
14 16 1 0 0 0 0
15 16 2 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
17 20 1 0 0 0 0
17 29 1 0 0 0 0
18 21 2 0 0 0 0
18 30 1 0 0 0 0
19 22 2 0 0 0 0
19 31 1 0 0 0 0
20 23 2 0 0 0 0
20 32 1 0 0 0 0
21 23 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
23 36 1 0 0 0 0
M END
$$$$