  20  38   8  15     0.00000     0.90090   8  15     0.00000     1.36250    38Ca
  20  39   8  15     0.00000     0.62918   8  15     0.00000     1.20734    39Ca
  20  40   8  19     0.00000     0.59074   8  19     0.00000     1.26912    40Ca
  20  41   6  16     5.41021     0.32757   6  16     3.17383     0.90463    41Ca
  20  42   8  16     0.00000    -0.37330   8  16     0.00000    -0.20617    42Ca
  20  43   3  29     6.35296    -0.17617   3  29     3.59814     0.06923    43Ca
  20  44   8  27     6.06635    -0.46404   8  27     3.25829    -0.25766    44Ca
  20  45   8  23     6.37091     0.06957   8  23     3.63682     0.49097    45Ca
  20  46   5  15     0.00000     0.46753   5  15     0.00000     0.77743    46Ca
  20  47   5  16     0.00000     1.38227   5  16     0.00000     2.02961    47Ca
  20  48   8  28     0.00000     1.60999   8  28     0.00000     2.48438    48Ca
