diff options
Diffstat (limited to '5x_cv/csv/smiles/MOU_geometrical.csv.~1~')
| -rw-r--r-- | 5x_cv/csv/smiles/MOU_geometrical.csv.~1~ | 1 |
1 files changed, 1 insertions, 0 deletions
diff --git a/5x_cv/csv/smiles/MOU_geometrical.csv.~1~ b/5x_cv/csv/smiles/MOU_geometrical.csv.~1~ new file mode 100644 index 0000000..e5fa3c9 --- /dev/null +++ b/5x_cv/csv/smiles/MOU_geometrical.csv.~1~ @@ -0,0 +1 @@ +SMILES,GRAVH-2,GRAV-1,GRAVH-3,GRAV-2,GRAV-3,MOMI-YZ,MOMI-XY,LOBMIN,MOMI-XZ,MOMI-X,GRAV-4,MOMI-Y,GRAV-5,MOMI-Z,GRAV-6,MOMI-R,GRAVH-1,LOBMAX |