  17  25   25.073921   68.857000 -0.1000  0.0300                     0.5 1  25Cl
  17  26   26.060853   56.684000  0.1400  0.0400                     1.0 1  26Cl
  17  27   27.043545   40.562000  0.1700  0.0100                     0.5 1  27Cl
  17  28   28.032489   30.263000  0.3000  0.0400                     1.0 1  28Cl
  17  29   29.016748   15.601000 -0.1800  0.0100                     1.5 1  29Cl
  17  30   30.006747    6.285000 -0.2100  0.0100                     1.0 1  30Cl
  17  31   30.993978   -5.609000 -0.2700  0.0500                     1.5 1  31Cl
  17  32   31.986371  -12.695000 -0.2300  0.0200                     1.0 1  32Cl
  17  33   32.978319  -20.196000 -0.2000  0.0000                     1.5 1  33Cl
  17  34   33.974536  -23.720000 -0.1800 -0.0100                     3.0 1  34Cl
  17  35   34.969651  -28.270000  0.2400  0.0200                     1.5 1  35Cl
  17  36   35.969102  -28.781000  0.2000  0.0400                     3.0 1  36Cl
  17  37   36.967298  -30.462000  0.2300  0.0400                     1.5 1  37Cl
  17  38   37.968822  -29.042000 -0.2200  0.0200                     2.0-1  38Cl
  17  39   38.967935  -29.868000  0.1300  0.0100                     1.5 1  39Cl
  17  40   39.970537  -27.445000  0.2100  0.0500                     1.0-1  40Cl
  17  41   40.969628  -28.291000  0.2100  0.0200                     0.5 1  41Cl
  17  42   41.973721  -24.479000  0.2600  0.0400                     2.0-1  42Cl
  17  43   42.973745  -24.456000  0.2300  0.0200                     0.5 1  43Cl
  17  44   43.978295  -20.218000  0.2600  0.0100                     0.0-1  44Cl
  17  45   44.980366  -18.289000 -0.2100  0.0400                     1.5 1  45Cl
  17  46   45.985697  -13.323000 -0.2000  0.0300                     0.0-1  46Cl
  17  47   46.989567   -9.718000 -0.2100  0.0300                     1.5 1  47Cl
  17  48   47.996069   -3.662000 -0.2100  0.0100                     1.0-1  48Cl
  17  49   49.001209    1.126000 -0.2100  0.0100                     1.5 1  49Cl
  17  50   50.009037    8.418000 -0.2300  0.0100                     4.0-1  50Cl
  17  51   51.014655   13.651000 -0.2100  0.0000                     1.5 1  51Cl
  17  52   52.023510   21.899000 -0.2000  0.0000                     1.0 1  52Cl
  17  53   53.029977   27.923000 -0.2000  0.0000                     0.5 1  53Cl
  17  54   54.039574   36.863000 -0.2300  0.0200                     1.0 1  54Cl
  17  55   55.047450   44.199000 -0.1200 -0.0100                     0.5 1  55Cl
  17  56   56.059476   55.402000  0.0000  0.0000                     1.0 1  56Cl
  17  57   57.065673   61.174000 -0.0800  0.0000                     0.5 1  57Cl
  17  58   58.074968   69.832000 -0.0700  0.0100                     1.0 1  58Cl
  17  59   59.082405   76.760000  0.2200  0.0700                     0.5 1  59Cl
  17  60   60.092879   86.516000  0.2200  0.0800                     1.0 1  60Cl
  17  61   61.100642   93.747000  0.2900  0.0900                     0.5 1  61Cl
  17  62   62.110587  103.011000  0.3000  0.1000                     1.0 1  62Cl
  17  63   63.119570  111.379000  0.3000  0.0800                     0.5 1  63Cl
  17  64   64.129382  120.519000  0.2800  0.0800                     1.0 1  64Cl
