BBO83T
-OEChem-04012115452D
35 37 0 0 0 0 0 0 0999 V2000
7.6648 1.1651 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6648 1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0812 1.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0812 0.3603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.6651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6648 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6648 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1648 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1648 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1648 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6648 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6648 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6648 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1648 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1648 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2738 2.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5822 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2725 -0.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5448 -1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9748 -0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9748 -2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7848 -1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -2.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8548 -3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7018 -3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 13 1 0 0 0 0
2 14 2 0 0 0 0
3 15 2 0 0 0 0
4 9 1 0 0 0 0
4 11 1 0 0 0 0
4 23 1 0 0 0 0
5 10 1 0 0 0 0
5 11 2 0 0 0 0
6 14 1 0 0 0 0
6 18 1 0 0 0 0
6 27 1 0 0 0 0
7 10 1 0 0 0 0
7 18 2 0 0 0 0
8 18 1 0 0 0 0
8 34 1 0 0 0 0
8 35 1 0 0 0 0
9 10 2 0 0 0 0
9 14 1 0 0 0 0
12 15 1 0 0 0 0
12 16 1 0 0 0 0
12 19 2 0 0 0 0
13 15 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
16 17 2 0 0 0 0
16 26 1 0 0 0 0
17 20 1 0 0 0 0
17 22 1 0 0 0 0
19 21 1 0 0 0 0
19 28 1 0 0 0 0
20 21 2 0 0 0 0
20 29 1 0 0 0 0
21 30 1 0 0 0 0
22 31 1 0 0 0 0
22 32 1 0 0 0 0
22 33 1 0 0 0 0
M END
$$$$