* CHARMM file
   21
    1    1      C      2.23927  -0.37906   0.26296             0.00000
    2    1      C      0.84242   1.92307  -0.42495             0.00000
    3    1      C      2.87093   0.84557   0.27224             0.00000
    4    1      C      2.17512   1.99353  -0.07035             0.00000
    5    1      C     -3.48376   0.49531  -0.08958             0.00000
    6    1      C      0.89097  -0.46475  -0.09388             0.00000
    7    1      C      0.19085   0.69913  -0.44024             0.00000
    8    1      O     -0.96331  -1.84252  -0.41854             0.00000
    9    1      O     -1.65307   0.88885   1.34063             0.00000
   10    1      O      0.88574  -2.88833   0.22674             0.00000
   11    1      C      0.20896  -1.77197  -0.10692             0.00000
   12    1      C     -2.01852   0.68535   0.20708             0.00000
   13    1      O     -1.11888   0.62850  -0.78855             0.00000
   14    1      H      0.39622  -3.72194   0.20347             0.00000
   15    1      H      2.78666  -1.27191   0.52677             0.00000
   16    1      H      0.30693   2.82242  -0.69109             0.00000
   17    1      H      3.91304   0.91084   0.54817             0.00000
   18    1      H      2.67811   2.94919  -0.06036             0.00000
   19    1      H     -3.73599  -0.56226  -0.01204             0.00000
   20    1      H     -4.07631   1.06367   0.62732             0.00000
   21    1      H     -3.69878   0.84709  -1.09861             0.00000