isoval.xyz

16
isovalerate il.ff
CO2       -0.85526        0.10933       -0.81906
O2        -0.24187        0.44638       -1.81143
O2        -1.04221        0.90542        0.20115
C2C       -1.29693       -1.31696       -0.55256
CT3       -0.26352       -2.12281        0.27755
HC        -1.48300       -1.81666       -1.50658
HC        -2.24983       -1.29257       -0.01703
CT         1.08501       -2.26813       -0.46426
CT        -0.82926       -3.51952        0.61517
HC        -0.08372       -1.59529        1.21801
HC        -1.02393       -4.09178       -0.29530
HC        -1.76458       -3.43183        1.17306
HC        -0.12250       -4.08222        1.22974
HC         0.94618       -2.74693       -1.43659
HC         1.78019       -2.87495        0.12072
HC         1.55120       -1.29325       -0.62291