diff options
Diffstat (limited to '5x_cv/csv/smiles/RAT_geometrical.csv.~1~')
| -rw-r--r-- | 5x_cv/csv/smiles/RAT_geometrical.csv.~1~ | 1 |
1 files changed, 1 insertions, 0 deletions
diff --git a/5x_cv/csv/smiles/RAT_geometrical.csv.~1~ b/5x_cv/csv/smiles/RAT_geometrical.csv.~1~ new file mode 100644 index 0000000..1a536f1 --- /dev/null +++ b/5x_cv/csv/smiles/RAT_geometrical.csv.~1~ @@ -0,0 +1 @@ +SMILES,MOMI-YZ,MOMI-XY,GRAVH-3,GRAV-1,MOMI-XZ,GRAV-2,GRAV-3,GRAV-4,GRAV-5,MOMI-X,GRAV-6,LOBMAX,MOMI-Y,MOMI-Z,LOBMIN,MOMI-R,GRAVH-1,GRAVH-2 |