B71CQZ
-OEChem-04012119292D
31 33 0 0 0 0 0 0 0999 V2000
3.5878 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1569 2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1569 2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4659 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7908 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5229 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4170 1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7908 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5229 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 2.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2539 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0598 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2254 0.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0066 0.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6085 1.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 1.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2539 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0598 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -0.3863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -1.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 -1.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 12 1 0 0 0 0
2 3 1 0 0 0 0
2 7 1 0 0 0 0
3 5 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 7 2 0 0 0 0
5 8 1 0 0 0 0
6 10 2 0 0 0 0
6 11 1 0 0 0 0
7 13 1 0 0 0 0
8 9 2 0 0 0 0
9 14 1 0 0 0 0
9 19 1 0 0 0 0
10 15 1 0 0 0 0
10 20 1 0 0 0 0
11 16 2 0 0 0 0
11 21 1 0 0 0 0
12 14 2 0 0 0 0
12 17 1 0 0 0 0
13 22 1 0 0 0 0
13 23 1 0 0 0 0
13 24 1 0 0 0 0
14 25 1 0 0 0 0
15 18 2 0 0 0 0
15 26 1 0 0 0 0
16 18 1 0 0 0 0
16 27 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
M END
$$$$