* CHARMM file
   21
    1    1      C      2.15371   1.01697  -0.01180             0.00000
    2    1      C     -0.54473   1.67497   0.08655             0.00000
    3    1      C      1.76128   2.33761   0.01509             0.00000
    4    1      C      0.41634   2.66625   0.06435             0.00000
    5    1      C     -3.46645  -1.37668   0.13310             0.00000
    6    1      C      1.19163   0.00379   0.01020             0.00000
    7    1      C     -0.16807   0.34073   0.05958             0.00000
    8    1      O      0.76478  -2.28961  -0.00089             0.00000
    9    1      O     -2.73306   0.82458  -0.27724             0.00000
   10    1      O      2.91249  -1.73094  -0.06680             0.00000
   11    1      C      1.60432  -1.41147  -0.01934             0.00000
   12    1      C     -2.41075  -0.31464  -0.03603             0.00000
   13    1      O     -1.11159  -0.63446   0.08135             0.00000
   14    1      H      3.18313  -2.65909  -0.08617             0.00000
   15    1      H      3.20314   0.76539  -0.05434             0.00000
   16    1      H     -1.59122   1.93922   0.12461             0.00000
   17    1      H      2.50557   3.12001  -0.00194             0.00000
   18    1      H      0.11775   3.70395   0.08515             0.00000
   19    1      H     -3.76236  -1.43125   1.18075             0.00000
   20    1      H     -4.33439  -1.12665  -0.47704             0.00000
   21    1      H     -3.06620  -2.34030  -0.18207             0.00000