summaryrefslogtreecommitdiff
path: root/sim/src/parameters/moieties/C=.moi
blob: 2278c569b8fb7e25f07ffc9834b06606dc6eef91 (plain)
1
2
3
 C           6.0   0.0000000000   0.0000000000   0.6670954768
 H           1.0   0.9243351843   0.0000000000   1.2397499091
 H           1.0  -0.9243351843   0.0000000000   1.2397499091