summaryrefslogtreecommitdiff
path: root/sim/src/parameters/moieties/C-.moi
blob: 54bd54cb8f22f863d0df1ed33ca4381c18e63ca0 (plain)
1
2
3
4
 C           6.0   0.0000000000   0.0000000000   0.7200000000
 H           1.0   0.68149        0              0.961225
 H           1.0  -0.341          0.59           0.961225
 H           1.0  -0.341         -0.59           0.961225