BGB15O
-OEChem-04022106472D
26 27 0 0 0 0 0 0 0999 V2000
3.6636 -1.6138 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.2158 -3.6842 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 2.4794 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 3.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4432 2.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4432 2.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 -3.2230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -1.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 -3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -2.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0403 -0.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8462 -0.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0403 1.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8462 1.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9802 -1.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2424 -3.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9802 3.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7532 3.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 18 1 0 0 0 0
2 17 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 2 0 0 0 0
3 10 1 0 0 0 0
4 25 1 0 0 0 0
5 26 1 0 0 0 0
7 18 2 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
8 24 1 0 0 0 0
9 11 2 0 0 0 0
9 12 1 0 0 0 0
9 15 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 13 1 0 0 0 0
11 19 1 0 0 0 0
12 14 2 0 0 0 0
12 20 1 0 0 0 0
13 21 1 0 0 0 0
14 22 1 0 0 0 0
15 16 2 0 0 0 0
15 23 1 0 0 0 0
16 17 1 0 0 0 0
M END
$$$$