D04XPJ
-OEChem-10101305022D
27 28 0 0 0 0 0 0 0999 V2000
4.2690 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 3 1 0 0 0 0
2 27 1 0 0 0 0
3 16 1 0 0 0 0
3 26 1 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
4 7 1 0 0 0 0
5 11 2 0 0 0 0
5 12 1 0 0 0 0
6 9 1 0 0 0 0
6 17 1 0 0 0 0
7 10 2 0 0 0 0
7 18 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
8 16 1 0 0 0 0
9 19 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 14 2 0 0 0 0
12 22 1 0 0 0 0
13 15 2 0 0 0 0
13 23 1 0 0 0 0
14 15 1 0 0 0 0
14 24 1 0 0 0 0
15 25 1 0 0 0 0
M END
$$$$