BJFL16
-OEChem-04022103042D
27 27 0 0 0 0 0 0 0999 V2000
6.0010 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.4050 0.0000 O 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
3.4030 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.0950 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
4.2690 -2.5950 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
5.1350 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1771 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5571 4.4419 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
4.8059 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 14 1 0 0 0 0
2 8 1 0 0 0 0
2 26 1 0 0 0 0
3 9 1 0 0 0 0
3 27 1 0 0 0 0
4 14 2 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
6 16 1 0 0 0 0
7 11 2 0 0 0 0
7 17 1 0 0 0 0
8 9 2 0 0 0 0
9 11 1 0 0 0 0
10 12 2 0 0 0 0
10 18 1 0 0 0 0
11 19 1 0 0 0 0
12 14 1 0 0 0 0
12 20 1 0 0 0 0
13 15 1 0 0 0 0
13 21 1 0 0 0 0
13 22 1 0 0 0 0
15 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
M END
$$$$