B5N0OS
-OEChem-04012118162D
22 23 0 0 0 0 0 0 0999 V2000
5.2619 -0.9560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 1.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 1.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 0.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -0.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -1.3483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3815 0.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8674 1.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4707 2.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6888 2.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 6 1 0 0 0 0
2 8 1 0 0 0 0
3 7 1 0 0 0 0
3 9 1 0 0 0 0
4 12 2 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
5 19 1 0 0 0 0
6 7 1 0 0 0 0
6 10 2 0 0 0 0
7 11 2 0 0 0 0
8 9 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
10 12 1 0 0 0 0
11 18 1 0 0 0 0
13 20 1 0 0 0 0
13 21 1 0 0 0 0
13 22 1 0 0 0 0
M END
$$$$