  20  38   8  15     0.00000     0.97263   8  15     0.00000     1.47877    38Ca
  20  39   8  15     0.00000     0.46625   8  15     0.00000     1.07242    39Ca
  20  40   8  19     0.00000     0.59359   8  19     0.00000     1.28469    40Ca
  20  41   6  16     5.41856     0.41716   6  16     3.21426     0.98179    41Ca
  20  42   8  16     0.00000    -0.35295   8  16     0.00000    -0.16032    42Ca
  20  43   3  29     6.61250    -0.05650   3  29     3.60469     0.09222    43Ca
  20  44   8  27     6.38671    -0.25680   8  27     3.11719    -0.32013    44Ca
  20  45   8  23     6.41023     0.12435   8  23     3.61866     0.62226    45Ca
  20  46   5  15     0.00000     0.46657   5  15     0.00000     0.79293    46Ca
  20  47   5  16     0.00000     1.24385   5  16     0.00000     1.91460    47Ca
  20  48   8  28     0.00000     1.70976   8  28     0.00000     2.62669    48Ca
