* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    143    225     422
    1     0 S   NP   _N1_     1    28.61332    95.32247   -24.09645
    2     1 S   H    _HN1     2     1.02951    76.69096    20.32721
    3     1 S   H    _H1_     3     1.02828    32.91158   177.37237
    4     1 S   H    _H2_     4     1.02785   106.58637   -85.17579
    5     1 S   CT   _CA1     5     1.50110   135.01722   125.99593
    6     5 S   HC   _HA1     6     1.09574   105.20476    86.23160
    7     5 S   CO3  _C1_     7     1.53797   112.45460   -34.01303
    8     7 S   O2Z  _O11     8     1.26372   115.00872   -42.62877
    9     7 S   O2Z  _O12     9     1.26242   114.94855   136.52578
   10     5 S   CT   _CB1    10     1.53083   107.42268  -155.78034
   11    10 S   HC   HB11    11     1.09831   109.39168   -49.76455
   12    10 S   HC   HB12    12     1.09814   110.43563    66.84934
   13    10 S   CT   _CG1    13     1.52982   112.59511  -170.75384
   14    13 S   HC   HG11    14     1.09587   110.59679   -65.04218
   15    13 S   HC   HG12    15     1.09669   109.82095    54.18551
   16    13 S   C    _CD1    16     1.51796   112.27708   174.64174
   17    16 S   O    _OE1    17     1.22724   123.31173     5.21992
   18    16 S   N    _N2_    18     1.38651   111.62640  -174.87283
   19    18 S   H    _HN2    19     1.01578   118.92257     1.96523
   20    18 S   CT1  _CA2    20     1.46197   123.41137   178.09525
   21    20 S   HC   _HA2    21     1.09732   109.39941     1.64616
   22    20 S   C    _C2_    22     1.53521   108.55568  -113.90878
   23    22 S   O    _O2_    23     1.23057   122.29028  -147.41351
   24    20 S   CT   _CB2    32     1.53342   111.53778   123.70674
   25    24 S   HC   HB21    33     1.09573   109.91953    56.27915
   26    24 S   HC   HB22    34     1.09433   109.95912   175.49689
   27    22 S   N    _N3_    24     1.38329   113.67428    39.98254
   28    27 S   H    _HN3    25     1.01594   119.58123    -3.29663
   29    24 S   S    _SG2    35     1.82608   111.51154   -64.75184
   30    27 S   CT   _CA3    26     1.45289   123.19433   177.13051
   31    30 S   HC   HA31    27     1.09550   107.50537   -64.60243
   32    30 S   HC   HA32    28     1.09557   107.98435    51.82827
   33    29 S   CT   _C17    36     1.85991   100.24714   168.85821
   34    33 S   HC   _H5_    37     1.09230   104.59604   -47.83274
   35    30 S   CO3  _C3_    29     1.52955   114.09597   173.83029
   36    35 S   O2Z  _O31    30     1.26374   116.06855    -0.69802
   37    35 S   O2Z  _O32    31     1.26429   114.41141   179.36265
   38    33 S   CT   _C16    38     1.55225   108.79859    70.88766
   39    38 S   HC   _H23    39     1.09544   111.07582   131.67688
   40    38 S   HC   _H24    40     1.09756   110.72882    15.81408
   41    33 S   CT   _C5_    60     1.56596   111.30751  -163.66078
   42    38 S   CT   _C15    41     1.53042   113.71971  -105.97861
   43    42 S   HC   _H21    42     1.09707   109.18723   157.83736
   44    42 S   HC   _H22    43     1.09355   113.06337    39.63562
   45    41 S   CT   _C4_    61     1.54163   113.34583    49.04993
   46    45 S   HC   _H6_    62     1.09524   111.85428   -72.08327
   47    45 S   HC   _H7_    63     1.09667   110.68314   171.06688
   48    45 S   HC   _H8_    64     1.09406   112.13697    50.37659
   49    41 S   OH   _O34    65     1.43822   107.93339   -69.41772
   50    49 S   HO   _H25    66     0.97250   108.10470   177.17846
   51    42 S   CO4  _C14    44     1.51887   111.63774   -84.10254
   52    51 S   O    _O33    45     1.23728   119.34627   -96.79655
   53    51 S   C4T  _C9_    46     1.55189   117.24597    82.14121
   54    53 S   HC   _H4_    47     1.09913   110.73749    15.81740
   55    53 S   C4T  _C10    48     1.55123   118.14294   143.29034
   56    55 S   HC   _H13    49     1.09447   115.12673   -98.75861
   57    55 S   HC   _H14    50     1.09695   113.96992    26.89155
   58    53 S   C4T  _C8_    52     1.56138   116.82930  -114.54993
   59    58 S   HC   _H3_    53     1.10217   111.73918   -32.81742
   60    55 S   C4T  _C11    51     1.55793    88.42780   143.09920
   61    58 S   CT   _C7_    54     1.52780   117.48768    94.65442
   62    61 S   HC   _H11    55     1.09735   108.12353   160.20539
   63    61 S   HC   _H12    56     1.09365   110.79929    44.02098
   64    61 S   CT   _C6_    57     1.53681   111.43958   -81.35490
   65    64 S   HC   _H9_    58     1.10013   107.51546  -123.28053
   66    64 S   HC   _H10    59     1.09614   111.20625   -10.96140
   67    60 S   CT   _C12    67     1.52760   113.62649  -137.86550
   68    67 S   HC   _H15    68     1.09530   110.78344   169.10536
   69    67 S   HC   _H16    69     1.09550   111.71378    49.10907
   70    67 S   HC   _H17    70     1.09536   110.92505   -70.85779
   71    60 S   CT   _C13    71     1.53064   113.35057    94.41146
   72    71 S   HC   _H18    72     1.09530   110.87037  -170.41120
   73    71 S   HC   _H19    73     1.09561   110.71116    69.99205
   74    71 S   HC   _H20    74     1.09479   112.19147   -49.93926
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  12   6   5  14   8   4   3   9   4   3   2
   5   1  10   4  13   7  14   5   4  16   7  12   7   4   3   2
   1   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    64    41    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    51    61    64    65    66    41    45    46    47    48    49    50  
   38    39    40    42    64    41    45    49  
   36    37  
   37  
    0  
   39    40    42    43    44    51    52    53    64    41    45    49  
   40    42    43    44    51    41  
   42    43    44    51    41  
   45    46    47    48    49    50    42    58    61    62    63    64    65    66  
   43    44    51    52    53    54    55    58  
   44    51    52    53  
   51    52    53  
   46    47    48    49    50    61    64    65    66  
   47    48    49    64  
   48    49    64  
   49    64  
   50    61    64    65    66  
   64  
   52    53    54    55    56    57    60    58    59    61  
   53    54    55    58  
   54    55    56    57    60    58    59    61    62    63    64    67    71  
   55    56    57    60    58    59    61  
   56    57    60    58    59    61    67    68    69    70    71    72    73    74  
   57    60    58    67    71  
   60    58    67    71  
   59    61    62    63    64    65    66    67    68    69    70    71    72    73    74    60  
   61    62    63    64    67    71    60  
   61    62    63    64    67    68    69    70    71    72    73    74  
   62    63    64    65    66    67    71  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.447300   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.037300   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   317.000  1.522
   51    52   570.000  1.229
   51    53   265.000  1.493
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    58   268.000  1.529
   60    67   260.000  1.519
   60    71   260.000  1.519
   58    59   340.000  1.090
   58    61   260.000  1.519
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    41   268.000  1.529
   41    45   268.000  1.529
   41    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    64    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    51    63.00000  111.10000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    51    52    80.00000  120.40000
   42    51    53    70.00000  116.00000
   44    42    43    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    44    35.00000  109.50000
   51    53    54    40.00000  111.84800
   51    53    55    80.00000  115.07000
   51    53    58    80.00000  115.07000
   53    51    52    65.00000  127.62700
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    63.00000   92.00000
   53    58    60    63.00000   92.00000
   53    58    59    37.50000  110.70000
   53    58    61    65.00000  119.52000
   55    53    54    37.50000  110.70000
   55    60    58    63.00000   92.00000
   55    60    67    65.00000  119.52000
   55    60    71    65.00000  119.52000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    58    61    65.00000  119.52000
   60    67    68    45.00000  111.22300
   60    67    69    45.00000  111.22300
   60    67    70    45.00000  111.22300
   60    71    72    45.00000  111.22300
   60    71    73    45.00000  111.22300
   60    71    74    45.00000  111.22300
   58    53    54    37.50000  110.70000
   58    53    55    63.00000   92.00000
   58    61    62    45.00000  111.22300
   58    61    63    45.00000  111.22300
   58    61    64    70.00000  112.98000
   61    58    59    45.00000  112.72800
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    41    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    41    45    58.35000  112.70000
   64    41    49    50.00000  109.50000
   66    64    65    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    64    65    37.50000  110.70000
   41    64    66    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    50.00000  109.50000
   67    60    58    65.00000  119.52000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    60    58    65.00000  119.52000
   71    60    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    64   0.44750  1.0 1.0
   29    33    41    64  -0.17800 -1.0 2.0
   29    33    41    64   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    51  -0.95700  1.0 1.0
   33    38    42    51  -0.18200 -1.0 2.0
   33    38    42    51   0.29450  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    64   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    64   0.56750  1.0 1.0
   38    33    41    64  -0.07550 -1.0 2.0
   38    33    41    64   0.20000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    42    51    52   0.30150 -1.0 2.0
   38    42    51    53   0.60050  1.0 1.0
   38    42    51    53   0.05600 -1.0 2.0
   38    42    51    53   0.26150  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    51  -0.11250  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    51  -0.11250  1.0 3.0
   42    51    53    54   0.00000  1.0 1.0
   42    51    53    55   0.60050  1.0 1.0
   42    51    53    55   0.05600 -1.0 2.0
   42    51    53    55   0.26150  1.0 3.0
   42    51    53    58   0.60050  1.0 1.0
   42    51    53    58   0.05600 -1.0 2.0
   42    51    53    58   0.26150  1.0 3.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53   0.00000  1.0 1.0
   44    42    51    52   0.00000  1.0 1.0
   44    42    51    53   0.00000  1.0 1.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    57   0.15000  1.0 3.0
   51    53    55    60   0.00000  1.0 1.0
   51    53   -58    60   0.00000  1.0 1.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    61  -0.95700  1.0 1.0
   51    53    58    61  -0.18200 -1.0 2.0
   51    53    58    61   0.29450  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55  -0.11250  1.0 1.0
   52    51    53    55   0.11400 -1.0 2.0
   52    51    53    55  -0.28950  1.0 3.0
   52    51    53    58  -0.11250  1.0 1.0
   52    51    53    58   0.11400 -1.0 2.0
   52    51    53    58  -0.28950  1.0 3.0
   53    55   -60    58   0.00000  1.0 1.0
   53    55    60    67  -0.70950  1.0 1.0
   53    55    60    67   0.38400 -1.0 2.0
   53    55    60    71  -0.70950  1.0 1.0
   53    55    60    71   0.38400 -1.0 2.0
   53    58    61    62   0.00000  1.0 1.0
   53    58    61    63   0.00000  1.0 1.0
   53    58    61    64   0.04050  1.0 1.0
   53    58    61    64   0.63700 -1.0 2.0
   53    58    61    64   0.17650  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    60   0.15000  1.0 3.0
   54    53   -58    60   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53   -58    60   0.00000  1.0 1.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    61  -0.70950  1.0 1.0
   55    53    58    61   0.38400 -1.0 2.0
   55    60   -58    53   0.00000  1.0 1.0
   55    60   -58    59   0.15000  1.0 3.0
   55    60   -58    61  -0.70950  1.0 1.0
   55    60   -58    61   0.38400 -1.0 2.0
   55    60    67    68   0.00000  1.0 1.0
   55    60    67    69   0.00000  1.0 1.0
   55    60    67    70   0.00000  1.0 1.0
   55    60    71    72   0.00000  1.0 1.0
   55    60    71    73   0.00000  1.0 1.0
   55    60    71    74   0.00000  1.0 1.0
   56    55    60    58   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   56    55    60    71   0.15000  1.0 3.0
   57    55    60    58   0.15000  1.0 3.0
   57    55    60    67   0.15000  1.0 3.0
   57    55    60    71   0.15000  1.0 3.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    63   0.00000  1.0 1.0
   60    58    61    64   0.04050  1.0 1.0
   60    58    61    64   0.63700 -1.0 2.0
   60    58    61    64   0.17650  1.0 3.0
   58    53   -55    56   0.15000  1.0 3.0
   58    53   -55    57   0.15000  1.0 3.0
   58    53   -55    60   0.00000  1.0 1.0
   58    60    67    68   0.00000  1.0 1.0
   58    60    67    69   0.00000  1.0 1.0
   58    60    67    70   0.00000  1.0 1.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   58    60    71    74   0.00000  1.0 1.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    41   0.31550 -1.0 2.0
   58    61    64    41   0.11250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   61    64    41    33   0.56750  1.0 1.0
   61    64    41    33  -0.07550 -1.0 2.0
   61    64    41    33   0.20000  1.0 3.0
   61    64    41    45   0.56750  1.0 1.0
   61    64    41    45  -0.07550 -1.0 2.0
   61    64    41    45   0.20000  1.0 3.0
   61    64    41    49   0.86500  1.0 1.0
   61    64    41    49  -0.17500 -1.0 2.0
   61    64    41    49   0.20800  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    41   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    41   0.15000  1.0 3.0
   64    41    45    46   0.15000  1.0 3.0
   64    41    45    47   0.15000  1.0 3.0
   64    41    45    48   0.15000  1.0 3.0
   64    41    49    50  -0.11600  1.0 1.0
   64    41    49    50  -0.09450 -1.0 2.0
   64    41    49    50   0.21250  1.0 3.0
   65    64    41    33   0.15000  1.0 3.0
   65    64    41    45   0.15000  1.0 3.0
   65    64    41    49   0.23400  1.0 3.0
   66    64    41    33   0.15000  1.0 3.0
   66    64    41    45   0.15000  1.0 3.0
   66    64    41    49   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50  -0.11600  1.0 1.0
   45    41    49    50  -0.09450 -1.0 2.0
   45    41    49    50   0.21250  1.0 3.0
   49    41    45    46   0.23400  1.0 3.0
   49    41    45    47   0.23400  1.0 3.0
   49    41    45    48   0.23400  1.0 3.0
   67    60   -58    53  -0.70950  1.0 1.0
   67    60   -58    53   0.38400 -1.0 2.0
   67    60    58    59   0.15000  1.0 3.0
   67    60    58    61   0.56750  1.0 1.0
   67    60    58    61  -0.07550 -1.0 2.0
   67    60    58    61   0.20000  1.0 3.0
   67    60    71    72   0.15000  1.0 3.0
   67    60    71    73   0.15000  1.0 3.0
   67    60    71    74   0.15000  1.0 3.0
   71    60   -58    53  -0.70950  1.0 1.0
   71    60   -58    53   0.38400 -1.0 2.0
   71    60    58    59   0.15000  1.0 3.0
   71    60    58    61   0.56750  1.0 1.0
   71    60    58    61  -0.07550 -1.0 2.0
   71    60    58    61   0.20000  1.0 3.0
   71    60    67    68   0.15000  1.0 3.0
   71    60    67    69   0.15000  1.0 3.0
   71    60    67    70   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    53    51    52  10.50000 -1.0 2.0
END
