Files
rdkit/Code/GraphMol/MolTransforms/test_data/github1908_2.mol
Greg Landrum f4cc148406 Fixes #1908 (#1912)
* Fixes #1908

* cleanup
2018-06-14 18:40:10 -04:00

18 lines
577 B
Plaintext

benzene
RDKit 3D
6 6 0 0 0 0 0 0 0 0999 V2000
-1.3308 0.2532 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 1.3274 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9044 1.0590 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3321 -0.2512 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4562 -1.3235 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9058 -1.0601 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
M END