B82NPW
-OEChem-04012117222D
26 28 0 0 0 0 0 0 0999 V2000
7.3424 -1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3424 0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 1.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9260 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3765 -2.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1748 -2.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2532 -0.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6550 -1.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3121 1.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6879 -0.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3869 -0.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3869 -0.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 15 1 0 0 0 0
2 13 1 0 0 0 0
2 15 1 0 0 0 0
3 9 2 0 0 0 0
4 7 1 0 0 0 0
4 9 1 0 0 0 0
4 14 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 16 1 0 0 0 0
5 17 1 0 0 0 0
6 8 1 0 0 0 0
6 10 2 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
10 12 1 0 0 0 0
10 20 1 0 0 0 0
11 13 1 0 0 0 0
11 21 1 0 0 0 0
12 13 2 0 0 0 0
14 22 1 0 0 0 0
14 23 1 0 0 0 0
14 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
M END
$$$$