* LIGAND DATABASE FILE (OPLS2005)
*
001      72    76    146    232     413
    1     0 S   NP   _N1_     1    28.95496    93.05016   -19.90738
    2     1 S   H    _HN1     2     1.02835    23.42093   151.54007
    3     1 S   H    _H1_     3     1.02774    88.18402   -60.48261
    4     1 S   H    _H2_     4     1.02964   102.64029    47.94092
    5     1 S   CT   _CA1     5     1.50174   131.84134  -179.25375
    6     5 S   HC   _HA1     6     1.09578   105.16789    47.09489
    7     5 S   CO3  _C1_     7     1.53795   112.43057   -72.90174
    8     7 S   O2Z  _O11     8     1.26351   114.97948   -40.01775
    9     7 S   O2Z  _O12     9     1.26230   114.91370   138.94712
   10     5 S   CT   _CB1    10     1.53087   107.37341   164.91190
   11    10 S   HC   HB11    11     1.09806   109.14719   -50.35841
   12    10 S   HC   HB12    12     1.09837   110.45636    66.11136
   13    10 S   CT   _CG1    13     1.53032   112.79983  -171.65299
   14    13 S   HC   HG11    14     1.09498   110.15935   -63.68784
   15    13 S   HC   HG12    15     1.09623   110.29472    55.32589
   16    13 S   C    _CD1    16     1.51837   112.00380   174.99340
   17    16 S   O    _OE1    17     1.22763   122.93574   -21.04467
   18    16 S   N    _N2_    18     1.38566   112.02302   160.35926
   19    18 S   H    _HN2    19     1.01602   118.99978    -0.10653
   20    18 S   CT1  _CA2    20     1.46357   123.45250  -179.27046
   21    20 S   HC   _HA2    21     1.09738   109.25288   -19.93426
   22    20 S   C    _C2_    22     1.53412   107.98583  -135.54950
   23    22 S   O    _O2_    23     1.22996   122.36772  -144.83195
   24    20 S   CT   _CB2    32     1.53549   111.49912   102.41629
   25    24 S   HC   HB21    33     1.09389   109.25210    52.77363
   26    24 S   HC   HB22    34     1.09491   110.74170   171.63081
   27    22 S   N    _N3_    24     1.38545   113.24267    42.46007
   28    27 S   H    _HN3    25     1.01538   118.91880    -0.41449
   29    24 S   S    _SG2    35     1.82552   111.62586   -68.78355
   30    27 S   CT   _CA3    26     1.45449   123.39084   175.12319
   31    30 S   HC   HA31    27     1.09528   109.14040    25.86819
   32    30 S   HC   HA32    28     1.09492   107.13234   142.87597
   33    29 S   CT   _C9_    36     1.79561   100.46892   167.73399
   34    33 S   HC   _H3_    37     1.10080   103.63070    61.21076
   35    30 S   CO3  _C3_    29     1.52943   113.24256   -97.53103
   36    35 S   O2Z  _O31    30     1.26395   115.47695   -42.10247
   37    35 S   O2Z  _O32    31     1.26367   114.92687   138.83817
   38    33 S   CM   _C4_    38     1.49691   120.00619   177.17472
   39    38 S   CMA  _C5_    39     1.35748   108.22454   160.77158
   40    39 S   OM   _O16    40     1.26364   127.90817   172.25468
   41    38 S   C3T  _C8_    61     1.47520   125.53476   -23.08405
   42    41 S   HC   _H25    62     1.08615   113.14718  -130.93957
   43    39 S   OS   _O18    41     1.42585   109.94167    -7.38485
   44    70 S   O3T  _O20    63     1.43492   113.86069   141.99477
   45    33 S   CT   _C14    42     1.52703   119.75453   -59.15791
   46    45 S   HC   _H31    43     1.09710   106.77391    80.93238
   47    45 S   CT   _C11    44     1.57580   126.75792   -49.20578
   48    47 S   HC   _H28    45     1.09852   107.90918  -111.00267
   49    47 S   CT   _C10    46     1.54295   107.92498   133.90330
   50    49 S   HC   _H27    47     1.09682   111.31424   -38.93410
   51    49 S   CO4  _C6_    48     1.49492   104.44475  -152.57962
   52    51 S   O    _O17    49     1.22103   125.99534  -163.51529
   53    49 S   CT   _C17    69     1.52137   112.97822    85.42044
   54    53 S   HC   _H33    70     1.09564   111.40592    60.56927
   55    53 S   HC   _H34    71     1.09433   111.12697   -60.35591
   56    53 S   HC   _H35    72     1.09542   110.69567   179.76930
   57    51 S   OS   _O19    50     1.35490   109.45552    20.18115
   58    47 S   CT   _C12    51     1.53855   123.16105    14.14260
   59    58 S   HC   _H29    52     1.08384   113.72986    21.82556
   60    58 S   CT   _C7_    53     1.54458   116.82346  -108.27519
   61    60 S   HC   _H23    54     1.09881   107.92822  -173.11795
   62    60 S   HC   _H24    55     1.09874   109.14495   -60.67243
   63    60 S   C3T  _C16    56     1.49968   115.93762    64.00925
   64    63 S   C3T  _C15    57     1.52484   117.86858    59.25352
   65    64 S   HC   _H32    58     1.08579   117.47370     1.75011
   66    63 S   CT   _C18    65     1.50077   116.30607  -106.55485
   67    66 S   HC   _H36    66     1.09385   112.30631   171.39488
   68    66 S   HC   _H37    67     1.09219   111.26694    49.33413
   69    66 S   HC   _H38    68     1.09588   109.86009   -69.18408
   70    64 S   C3T  _C13    59     1.51859   122.17701  -149.63430
   71    70 S   HC   _H30    60     1.08539   116.27920   -77.88431
   72    63 S   O3T  _O21    64     1.44493   115.19901   124.04098
  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   9   5   4   3
  15   7   2   1   1  12   9   3  10   4   6   6  11   4  16   8
  11   8   9   3   5   2   1   1   6   8   4  11   5   4   9   8
   4   5   3   2   1   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    45    46    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    46    47    48    49    58    70    41    42    44  
   38    39    43    45    46    47    41  
   36    37  
   37  
    0  
   39    40    43    45    46    47    64    70    71    41    42    44  
   40    43    45    46    47    70    41    42    44  
   43    45    41  
   42    44    72    43    45    63    64    65    70    71  
   44    64    70    71  
   45    46    47    48    49    58  
   72    63    64    65    70    71  
   46    47    48    49    50    51    57    58    59    60    53  
   47    48    49    58  
   48    49    50    51    52    57    58    59    60    61    62    63    53    54    55    56  
   49    50    51    57    58    59    60    53  
   50    51    52    57    58    59    60    53    54    55    56  
   51    52    57    58    53    54    55    56  
   52    57    58    59    60    53    54    55    56  
   57    58    53  
   54    55    56    57    58  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61    62    63    64    72    66  
   60    61    62    63  
   61    62    63    64    65    70    72    66    67    68    69  
   62    63    64    72    66  
   63    64    72    66  
   64    65    70    71    72    66    67    68    69  
   65    70    71    72    66    67    68    69  
   70    71    72    66  
   67    68    69    70    72  
   68    69    72  
   69    72  
   72  
   71    72  
   72  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   44   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    45   268.000  1.529
   38    39   465.000  1.376
   38    41   305.000  1.480
   39    40   745.000  1.250
   39    43   440.000  1.360
   43    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    58   268.000  1.529
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   268.000  1.529
   51    52   570.000  1.229
   51    57   214.000  1.327
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   275.000  1.510
   63    64   260.000  1.509
   63    72   335.000  1.432
   63    66   275.000  1.510
   64    65   340.000  1.088
   64    70   260.000  1.509
   64    72   335.000  1.432
   70    71   340.000  1.088
   70    41   260.000  1.509
   70    44   335.000  1.432
   41    42   340.000  1.088
   41    44   335.000  1.432
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    45    43    50.00000  109.50000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    80.00000  120.01400
   38    41    70    60.00000  120.58800
   38    41    42    40.00000  112.45000
   38    41    44    85.00000  114.23300
   39    43    45    90.00000  111.18400
   43    39    40    65.00000  121.00000
   43    45    46    35.00000  109.50000
   43    45    47    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    58    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    63.00000  111.10000
   47    49    53    58.35000  112.70000
   47    58    57    50.00000  109.50000
   47    58    59    37.50000  110.70000
   47    58    60    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    52    80.00000  120.40000
   49    51    57    81.00000  111.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   51    49    50    35.00000  109.50000
   51    57    58    83.00000  116.90000
   57    51    52    83.00000  123.40000
   57    58    59    35.00000  109.50000
   57    58    60    50.00000  109.50000
   58    47    48    37.50000  110.70000
   58    47    49    58.35000  112.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    70.00000  112.37300
   60    58    59    37.50000  110.70000
   60    63    64    60.00000  120.94000
   60    63    72    80.00000  116.47100
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    45.00000  109.38400
   63    60    62    45.00000  109.38400
   63    64    65    37.50000  117.20000
   63    64    70    60.00000  120.94000
   63    64    72    15.00000   60.43100
   63    72    64    15.00000   59.14900
   63    66    67    45.00000  109.38400
   63    66    68    45.00000  109.38400
   63    66    69    45.00000  109.38400
   64    70    71    37.50000  117.20000
   64    70    41    60.00000  120.94000
   64    70    44    80.00000  116.47100
   70    64    65    37.50000  117.20000
   70    41    42    37.50000  117.20000
   70    41    44    15.00000   60.43100
   70    44    41    15.00000   59.14900
   41    38    39    55.00000  125.06700
   41    70    71    37.50000  117.20000
   44    70    71    50.00000  114.27700
   44    70    41    15.00000   60.43100
   44    41    42    50.00000  114.27700
   72    63    64    15.00000   60.43100
   72    64    65    50.00000  114.27700
   72    64    70    80.00000  116.47100
   66    63    64    60.00000  120.94000
   66    63    72    80.00000  116.47100
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    63.00000  111.10000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    41    70   0.46850  1.0 1.0
   33    38    41    70   0.08550 -1.0 2.0
   33    38    41    70   0.09800  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    44   0.09700  1.0 1.0
   33    38    41    44   0.15600 -1.0 2.0
   33    38    41    44  -0.50800  1.0 3.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.56750  1.0 1.0
   33    45    47    49  -0.07550 -1.0 2.0
   33    45    47    49   0.20000  1.0 3.0
   33    45    47    58   0.56750  1.0 1.0
   33    45    47    58  -0.07550 -1.0 2.0
   33    45    47    58   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    45    43   0.23400  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    47   0.15000  1.0 3.0
   38    33   -45    43   0.61850  1.0 1.0
   38    33   -45    43  -0.22750 -1.0 2.0
   38    33   -45    43   0.15300  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    47   0.34400  1.0 1.0
   38    33    45    47   0.09450 -1.0 2.0
   38    33    45    47   0.11100  1.0 3.0
   38    39   -43    45  -2.26850  1.0 1.0
   38    39   -43    45   3.39050 -1.0 2.0
   38    41   -44    70  -0.77900  1.0 1.0
   38    41   -44    70  -0.36900 -1.0 2.0
   38    41   -44    70   0.40400  1.0 3.0
   39    38    41    70   0.09850  1.0 1.0
   39    38    41    70   0.15250 -1.0 2.0
   39    38    41    70  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    44   0.39000  1.0 1.0
   39    38    41    44  -0.05800 -1.0 2.0
   39    38    41    44  -0.55150  1.0 3.0
   39    43   -45    33  -0.46850  1.0 1.0
   39    43   -45    33   0.09300 -1.0 2.0
   39    43   -45    33  -0.12850  1.0 3.0
   39    43    45    46   0.08050  1.0 3.0
   39    43    45    47  -0.46850  1.0 1.0
   39    43    45    47   0.09300 -1.0 2.0
   39    43    45    47  -0.12850  1.0 3.0
   40    39    43    45   2.00000 -1.0 2.0
   43    45    47    48   0.23400  1.0 3.0
   43    45    47    49   0.62750  1.0 1.0
   43    45    47    49  -0.30950 -1.0 2.0
   43    45    47    49   0.27300  1.0 3.0
   43    45    47    58   0.62750  1.0 1.0
   43    45    47    58  -0.30950 -1.0 2.0
   43    45    47    58   0.27300  1.0 3.0
   45    33   -38    39   0.09850  1.0 1.0
   45    33   -38    39   0.15250 -1.0 2.0
   45    33   -38    39  -0.50650  1.0 3.0
   45    33    38    41   0.46850  1.0 1.0
   45    33    38    41   0.08550 -1.0 2.0
   45    33    38    41   0.09800  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51  -0.95700  1.0 1.0
   45    47    49    51  -0.18200 -1.0 2.0
   45    47    49    51   0.29450  1.0 3.0
   45    47    49    53   0.56750  1.0 1.0
   45    47    49    53  -0.07550 -1.0 2.0
   45    47    49    53   0.20000  1.0 3.0
   45    47    58    57   0.62750  1.0 1.0
   45    47    58    57  -0.30950 -1.0 2.0
   45    47    58    57   0.27300  1.0 3.0
   45    47    58    59   0.15000  1.0 3.0
   45    47    58    60   0.56750  1.0 1.0
   45    47    58    60  -0.07550 -1.0 2.0
   45    47    58    60   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    58   0.15000  1.0 3.0
   47    49    51    52   0.30150 -1.0 2.0
   47    49   -51    57   0.36750  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    49    53    56   0.15000  1.0 3.0
   47    58    60    61   0.15000  1.0 3.0
   47    58    60    62   0.15000  1.0 3.0
   47    58    60    63   0.47050  1.0 1.0
   47    58    60    63   0.03900 -1.0 2.0
   47    58    60    63   0.20100  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51  -0.11250  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    58    57   0.23400  1.0 3.0
   48    47    58    59   0.15000  1.0 3.0
   48    47    58    60   0.15000  1.0 3.0
   49    47   -58    57   0.62750  1.0 1.0
   49    47   -58    57  -0.30950 -1.0 2.0
   49    47   -58    57   0.27300  1.0 3.0
   49    47    58    59   0.15000  1.0 3.0
   49    47    58    60   0.56750  1.0 1.0
   49    47    58    60  -0.07550 -1.0 2.0
   49    47    58    60   0.20000  1.0 3.0
   49    51   -57    58   1.63150  1.0 1.0
   49    51   -57    58   2.92000 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    57   0.00000  1.0 1.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   51    49    53    54  -0.11250  1.0 3.0
   51    49    53    55  -0.11250  1.0 3.0
   51    49    53    56  -0.11250  1.0 3.0
   51    57   -58    47  -0.25900  1.0 1.0
   51    57   -58    47  -0.47000 -1.0 2.0
   51    57   -58    47   0.11750  1.0 3.0
   51    57    58    59   0.08050  1.0 3.0
   51    57    58    60  -0.25900  1.0 1.0
   51    57    58    60  -0.47000 -1.0 2.0
   51    57    58    60   0.11750  1.0 3.0
   52    51    57    58   3.00000 -1.0 2.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.23400  1.0 3.0
   57    58    60    63  -0.26800  1.0 1.0
   57    58    60    63   0.69150 -1.0 2.0
   57    58    60    63  -0.48750  1.0 3.0
   58    47    49    50   0.15000  1.0 3.0
   58    47   -49    51  -0.95700  1.0 1.0
   58    47   -49    51  -0.18200 -1.0 2.0
   58    47   -49    51   0.29450  1.0 3.0
   58    47    49    53   0.56750  1.0 1.0
   58    47    49    53  -0.07550 -1.0 2.0
   58    47    49    53   0.20000  1.0 3.0
   58    60    63    64   0.07850  1.0 1.0
   58    60    63    64  -0.03950 -1.0 2.0
   58    60    63    64   0.67350  1.0 3.0
   58    60    63    72   0.02550  1.0 1.0
   58    60    63    72  -0.02600 -1.0 2.0
   58    60    63    72   1.20400  1.0 3.0
   58    60    63    66   0.56750  1.0 1.0
   58    60    63    66  -0.07550 -1.0 2.0
   58    60    63    66   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   60    63    64    65   0.15000  1.0 3.0
   60    63    64    70   0.07850  1.0 1.0
   60    63    64    70  -0.03950 -1.0 2.0
   60    63    64    70   0.67350  1.0 3.0
   60    63   -64    72   0.02550  1.0 1.0
   60    63   -64    72  -0.02600 -1.0 2.0
   60    63   -64    72   1.20400  1.0 3.0
   60    63   -72    64   0.06250  1.0 1.0
   60    63   -72    64  -0.01100 -1.0 2.0
   60    63   -72    64   0.28050  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    72   0.23400  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    72   0.23400  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    64    70    71   0.15000  1.0 3.0
   63    64    70    41   0.07850  1.0 1.0
   63    64    70    41  -0.03950 -1.0 2.0
   63    64    70    41   0.67350  1.0 3.0
   63    64    70    44   0.02550  1.0 1.0
   63    64    70    44  -0.02600 -1.0 2.0
   63    64    70    44   1.20400  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    70    41    38   0.34400  1.0 1.0
   64    70    41    38   0.09450 -1.0 2.0
   64    70    41    38   0.11100  1.0 3.0
   64    70    41    42   0.15000  1.0 3.0
   64    70   -41    44   0.02550  1.0 1.0
   64    70   -41    44  -0.02600 -1.0 2.0
   64    70   -41    44   1.20400  1.0 3.0
   64    70   -44    41   0.06250  1.0 1.0
   64    70   -44    41  -0.01100 -1.0 2.0
   64    70   -44    41   0.28050  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    41   0.15000  1.0 3.0
   65    64    70    44   0.23400  1.0 3.0
   65    64   -72    63   0.36800  1.0 3.0
   70    64   -72    63   0.06250  1.0 1.0
   70    64   -72    63  -0.01100 -1.0 2.0
   70    64   -72    63   0.28050  1.0 3.0
   71    70    41    38   0.15000  1.0 3.0
   71    70    41    42   0.15000  1.0 3.0
   71    70   -41    44   0.23400  1.0 3.0
   71    70   -44    41   0.36800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41   -44    70   0.36800  1.0 3.0
   44    70   -41    38   0.61850  1.0 1.0
   44    70   -41    38  -0.22750 -1.0 2.0
   44    70   -41    38   0.15300  1.0 3.0
   44    70   -41    42   0.23400  1.0 3.0
   72    63   -64    65   0.23400  1.0 3.0
   72    63   -64    70   0.02550  1.0 1.0
   72    63   -64    70  -0.02600 -1.0 2.0
   72    63   -64    70   1.20400  1.0 3.0
   72    63    66    67   0.23400  1.0 3.0
   72    63    66    68   0.23400  1.0 3.0
   72    63    66    69   0.23400  1.0 3.0
   72    64    70    71   0.23400  1.0 3.0
   72    64    70    41   0.02550  1.0 1.0
   72    64    70    41  -0.02600 -1.0 2.0
   72    64    70    41   1.20400  1.0 3.0
   72    64    70    44   1.11900  1.0 1.0
   72    64    70    44  -1.16350 -1.0 2.0
   72    64    70    44  -0.34150  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.07850  1.0 1.0
   66    63    64    70  -0.03950 -1.0 2.0
   66    63    64    70   0.67350  1.0 3.0
   66    63   -64    72   0.02550  1.0 1.0
   66    63   -64    72  -0.02600 -1.0 2.0
   66    63   -64    72   1.20400  1.0 3.0
   66    63   -72    64   0.06250  1.0 1.0
   66    63   -72    64  -0.01100 -1.0 2.0
   66    63   -72    64   0.28050  1.0 3.0
   53    49    51    52   0.30150 -1.0 2.0
   53    49    51    57   0.36750  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    43    39    38   1.10000 -1.0 2.0
   49    57    51    52  10.50000 -1.0 2.0
END
