B2GV9K
-OEChem-04012115202D
27 28 0 0 0 0 0 0 0999 V2000
2.8660 0.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0102 2.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -1.6276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7004 1.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1072 1.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6139 -0.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 -2.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7201 0.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3133 1.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6168 2.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 14 1 0 0 0 0
2 11 1 0 0 0 0
2 24 1 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
3 18 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 8 2 0 0 0 0
5 6 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 11 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
8 17 1 0 0 0 0
9 12 2 0 0 0 0
9 19 1 0 0 0 0
10 13 2 0 0 0 0
10 20 1 0 0 0 0
11 21 1 0 0 0 0
11 22 1 0 0 0 0
12 13 1 0 0 0 0
13 23 1 0 0 0 0
14 25 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
M END
$$$$