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filipsPL/gua2D.sdf

Created November 13, 2015 16:10
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Raw
gua2D.sdf
gua
OpenBabel11131516582D
7 7 0 0 0 0 0 0 0 0999 V2000
-0.3090 -0.9511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3090 -0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8968 -1.7601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6180 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8090 0.5878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 0.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
M END
$$$$
Raw
gua3D.sdf
gua
OpenBabel11131516583D
12 12 0 0 0 0 0 0 0 0999 V2000
0.9816 -0.6898 -0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2613 -1.0981 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7168 -2.3552 -0.0338 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0844 -0.0081 -0.0048 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3788 1.1358 0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8648 0.6664 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 1.4004 -0.0387 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 -3.1118 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 -2.6243 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0946 0.0246 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9182 2.4047 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8732 0.9614 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
4 5 1 0 0 0 0
4 10 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
M END
$$$$
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