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ghutchis/benzene2d.sdf

Created October 29, 2019 14:17
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Benzene SDF (2d vs. 3d)
Raw
benzene2d.sdf
OpenBabel10291910162D
6 6 0 0 0 0 0 0 0 0999 V2000
-0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.0000 0.0000 C 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
1 6 2 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
M END
$$$$
Raw
benzene3d.sdf
OpenBabel10291910163D
12 12 0 0 0 0 0 0 0 0999 V2000
1.3829 -0.2217 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8814 1.0797 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4966 1.2961 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3729 0.2110 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8712 -1.0906 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5068 -1.3068 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4566 -0.3902 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5640 1.9251 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 2.3101 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4463 0.3795 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5538 -1.9359 -0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8976 -2.3208 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 2 0 0 0 0
1 7 1 0 0 0 0
2 3 2 0 0 0 0
2 8 1 0 0 0 0
3 4 1 0 0 0 0
3 9 1 0 0 0 0
4 5 2 0 0 0 0
4 10 1 0 0 0 0
5 6 1 0 0 0 0
5 11 1 0 0 0 0
6 12 1 0 0 0 0
M END
$$$$
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