B2HET7
-OEChem-04012113472D
22 22 0 0 0 0 0 0 0999 V2000
2.0000 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 22 1 0 0 0 0
2 9 2 0 0 0 0
3 12 2 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
5 9 1 0 0 0 0
5 12 1 0 0 0 0
5 20 1 0 0 0 0
6 7 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
7 8 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
8 18 1 0 0 0 0
10 11 2 0 0 0 0
10 19 1 0 0 0 0
11 12 1 0 0 0 0
11 21 1 0 0 0 0
M END
$$$$