Files
rdkit/Code/GraphMol/test_data/chi3d_s2.mol

15 lines
520 B
Plaintext

Marvin 05260815433D
5 4 0 0 1 0 999 V2000
-0.1131 -0.6101 -0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1111 -0.0494 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5598 -0.8918 1.3729 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.6556 1.7141 -0.1374 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.4695 0.0625 0.1306 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
M END