B39QDU
-OEChem-04012112332D
37 37 0 1 0 0 0 0 0999 V2000
8.0622 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 15 2 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 12 1 0 0 0 0
11 4 1 1 0 0 0
4 32 1 0 0 0 0
4 33 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
5 34 1 0 0 0 0
6 8 1 0 0 0 0
6 17 1 0 0 0 0
6 18 1 0 0 0 0
7 9 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 10 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 10 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 27 1 0 0 0 0
13 14 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
15 16 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
M END
$$$$