* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    131    197     374
    1     0 S   NP   _N1_     1    28.62696    96.36396   -21.30212
    2     1 S   H    _HN1     2     1.02973    85.36132    46.89989
    3     1 S   H    _H1_     3     1.02828    37.73254   172.70273
    4     1 S   H    _H2_     4     1.02772    86.62736   -61.80328
    5     1 S   CT   _CA1     5     1.50134   148.46053   169.20096
    6     5 S   HC   _HA1     6     1.09578   105.23791    61.34865
    7     5 S   CO3  _C1_     7     1.53779   112.38231   -58.76573
    8     7 S   O2Z  _O11     8     1.26337   115.00245   -43.37876
    9     7 S   O2Z  _O12     9     1.26243   114.92276   135.79358
   10     5 S   CT   _CB1    10     1.53085   107.37334   179.15050
   11    10 S   HC   HB11    11     1.09813   109.20871   -51.78156
   12    10 S   HC   HB12    12     1.09827   110.42907    64.69470
   13    10 S   CT   _CG1    13     1.52992   112.74940  -173.05680
   14    13 S   HC   HG11    14     1.09571   110.20186   -63.07756
   15    13 S   HC   HG12    15     1.09629   110.22652    56.05013
   16    13 S   C    _CD1    16     1.51814   112.18717   176.06060
   17    16 S   O    _OE1    17     1.22734   123.13897   -15.05777
   18    16 S   N    _N2_    18     1.38576   111.73374   166.03077
   19    18 S   H    _HN2    19     1.01587   119.02621     0.52638
   20    18 S   CT1  _CA2    20     1.46269   123.48715  -178.37743
   21    20 S   HC   _HA2    21     1.09734   109.35247   -15.36401
   22    20 S   C    _C2_    22     1.53426   108.27922  -131.03847
   23    22 S   O    _O2_    23     1.23006   122.31003  -146.26729
   24    20 S   CT   _CB2    32     1.53462   111.21595   106.78420
   25    24 S   HC   HB21    33     1.09580   109.53606    53.61839
   26    24 S   HC   HB22    34     1.09481   110.64513   172.54860
   27    22 S   N    _N3_    24     1.38536   113.32240    41.18635
   28    27 S   H    _HN3    25     1.01532   118.87086    -0.62714
   29    24 S   S    _SG2    35     1.82818   111.53370   -67.90943
   30    27 S   CT   _CA3    26     1.45451   123.47493   175.09204
   31    30 S   HC   HA31    27     1.09522   109.23940    24.06113
   32    30 S   HC   HA32    28     1.09495   107.10953   141.07110
   33    29 S   CT   _C16    36     1.82801   100.04578   154.97499
   34    33 S   HC   _H3_    37     1.09569   108.44690   -44.20607
   35    30 S   CO3  _C3_    29     1.52932   113.16450   -99.42010
   36    35 S   O2Z  _O31    30     1.26400   115.43865   -43.31693
   37    35 S   O2Z  _O32    31     1.26360   114.96170   137.63846
   38    33 S   CO4  _C15    38     1.51160   109.29070    69.71894
   39    38 S   O    _O35    39     1.23174   121.88022   -88.85477
   40    38 S   CM   _C14    40     1.47308   119.19294    87.06400
   41    40 S   HC   _H9_    41     1.08271   115.63706  -163.06000
   42    40 S   CM   _C13    42     1.34075   120.68824    16.92145
   43    42 S   CT   _C11    43     1.52592   123.54972     3.03809
   44    42 S   OS   _O38    69     1.38920   123.85828  -178.99303
   45    43 S   CO4  _C12    44     1.52848   108.25219  -125.52747
   46    45 S   O    _O34    45     1.21699   129.11872    67.09438
   47    33 S   CM   _C17    61     1.52579   110.44373  -164.96006
   48    44 S   CT   _C20    70     1.42194   118.57366     1.81013
   49    48 S   HC   _H13    71     1.09407   107.83932   178.98220
   50    48 S   HC   _H14    72     1.09476   111.02088    61.03227
   51    48 S   HC   _H15    73     1.09468   110.97043   -63.11952
   52    45 S   CA   _C8_    46     1.44165   107.33024  -110.71406
   53    47 S   CMA  _C18    62     1.37528   119.93937    93.05581
   54    53 S   OM   _O36    63     1.26809   126.39699  -179.98022
   55    52 S   CA   _C9_    47     1.37821   106.02843    -0.65012
   56    53 S   OS   _O37    64     1.42107   112.07257     0.49377
   57    55 S   CA   _C10    48     1.38244   120.75524   179.48795
   58    57 S   HA   _H8_    49     1.08533   120.43613  -179.98022
   59    43 S   OS   _O33    60     1.46486   106.06771   122.86007
   60    56 S   CT   _C19    65     1.42883   113.33627  -129.78990
   61    60 S   HC   _H10    66     1.09394   107.72190   170.60889
   62    60 S   HC   _H11    67     1.09548   111.10784    52.41536
   63    60 S   HC   _H12    68     1.09466   111.07125   -71.41107
   64    57 S   CA   _C5_    50     1.40546   118.46319     0.28046
   65    64 S   CA   _C6_    51     1.41312   119.93322    -1.04605
   66    65 S   HA   _H7_    52     1.08765   119.87899  -178.91700
   67    64 S   CT   _C4_    56     1.50051   120.07253  -178.51154
   68    67 S   HC   _H4_    57     1.09428   109.96843    89.87135
   69    67 S   HC   _H5_    58     1.09505   110.86511  -149.61968
   70    67 S   HC   _H6_    59     1.09508   110.93290   -30.60611
   71    52 S   CA   _C7_    53     1.37795   131.59901   178.31495
   72    71 S   OH   _O39    54     1.36065   122.84769     0.61230
   73    72 S   HO   _H16    55     0.97453   108.24083     1.23480
  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   8   5   4   3
  13   6   2   1   1   8   4   8   3  13  13   7  10   5   7   3
   2   1   1  10   7   2   8   4  10   4   2   3   2   1   1   8
   8   3   4   2   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    59    47    53    54    56  
   38    39    40    43    47    53  
   36    37  
   37  
    0  
   39    40    41    42    43    47    53    44  
   40    41    42    47  
   41    42    43    45    59    47    44    48  
   42    43    44  
   43    45    46    52    55    59    47    53    44    48    49    50    51  
   45    46    52    55    57    71    59    47    53    54    56    44    48  
   48    49    50    51    45    47    59  
   46    52    55    57    65    71    72    59    47    53  
   52    55    71    59    47  
   53    54    56    60    52    55    59  
   49    50    51  
   50    51  
   51  
    0  
   55    57    58    64    65    66    71    72    73    59  
   54    56    60    61    62    63    59  
   56    60  
   57    58    64    65    71    72    67    59  
   60    61    62    63  
   58    64    65    66    71    67    68    69    70    59  
   64    65    67    59  
   64    71  
   61    62    63  
   62    63  
   63  
    0  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73  
   73  
    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   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.386000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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  1.522
   33    47   317.000  1.510
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   317.000  1.510
   42    44   440.000  1.360
   43    45   317.000  1.522
   43    59   320.000  1.410
   43    47   317.000  1.510
   45    46   570.000  1.229
   45    52   310.000  1.470
   52    55   469.000  1.400
   52    71   469.000  1.400
   55    57   469.000  1.400
   55    59   450.000  1.364
   57    58   367.000  1.080
   57    64   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   47    53   465.000  1.376
   53    54   745.000  1.250
   53    56   440.000  1.360
   56    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  110.18000
   29    33    47    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    47    43    65.00000  117.92700
   33    47    53    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    70.00000  124.00000
   40    42    44    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    45    70.00000  109.06800
   42    43    59    85.00000  110.90400
   42    43    47    70.00000  110.12100
   42    44    48    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    52    65.00000  115.47100
   43    59    55    75.00000  111.00000
   43    47    53    70.00000  124.00000
   45    52    55    60.00000  119.52600
   45    52    71    60.00000  119.52600
   52    45    46    75.00000  123.78400
   52    55    57    63.00000  120.00000
   52    55    59    70.00000  120.00000
   52    71    65    63.00000  120.00000
   52    71    72    70.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    64    63.00000  120.00000
   57    64    65    63.00000  120.00000
   57    64    67    70.00000  120.00000
   64    57    58    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    70.00000  120.00000
   71    52    55    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    64    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    43    45    90.00000  108.74100
   59    55    57    70.00000  120.00000
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  109.06800
   47    43    45    70.00000  109.06800
   47    43    59    85.00000  110.90400
   47    53    54    65.00000  137.10300
   47    53    56    80.00000  120.01400
   53    56    60    90.00000  111.18400
   56    53    54    65.00000  121.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.30250  1.0 1.0
   29    33    47    43  -0.14950 -1.0 2.0
   29    33    47    43   0.36900  1.0 3.0
   29    33    47    53   0.42700  1.0 1.0
   29    33    47    53  -0.70350 -1.0 2.0
   29    33    47    53  -0.43150  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    47    53    54   7.00000 -1.0 2.0
   33    47    53    56   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43   0.34800  1.0 3.0
   34    33    47    53   0.00000  1.0 1.0
   38    33    47    43   0.17250  1.0 1.0
   38    33    47    43  -0.04100 -1.0 2.0
   38    33    47    43  -0.33850  1.0 3.0
   38    33    47    53  -0.51250  1.0 1.0
   38    33    47    53  -0.88800 -1.0 2.0
   38    33    47    53   0.08850  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    45  -0.51250  1.0 1.0
   40    42    43    45  -0.88800 -1.0 2.0
   40    42    43    45   0.08850  1.0 3.0
   40    42    43    59   0.39000  1.0 1.0
   40    42    43    59  -0.05800 -1.0 2.0
   40    42    43    59  -0.55150  1.0 3.0
   40    42    43    47  -0.28300  1.0 1.0
   40    42    43    47   0.26700 -1.0 2.0
   40    42    43    47  -0.63300  1.0 3.0
   40    42    44    48  -2.26850  1.0 1.0
   40    42    44    48   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    52   0.65300  1.0 1.0
   42    43    45    52  -0.03850 -1.0 2.0
   42    43    45    52   0.33900  1.0 3.0
   42    43    59    55  -0.25600  1.0 1.0
   42    43    59    55  -0.40050 -1.0 2.0
   42    43    59    55   0.34700  1.0 3.0
   42    43   -47    33   0.09700  1.0 1.0
   42    43   -47    33   0.15600 -1.0 2.0
   42    43   -47    33  -0.50800  1.0 3.0
   42    43    47    53  -0.28300  1.0 1.0
   42    43    47    53   0.26700 -1.0 2.0
   42    43    47    53  -0.63300  1.0 3.0
   42    44    48    49   0.08050  1.0 3.0
   42    44    48    50   0.08050  1.0 3.0
   42    44    48    51   0.08050  1.0 3.0
   43    42    44    48   2.00000 -1.0 2.0
   43    45   -52    55   2.26350  1.0 1.0
   43    45   -52    55   0.76750 -1.0 2.0
   43    45   -52    55   0.22500  1.0 3.0
   43    45    52    71   2.26350  1.0 1.0
   43    45    52    71   0.76750 -1.0 2.0
   43    45    52    71   0.22500  1.0 3.0
   43    47    53    54   7.00000 -1.0 2.0
   43    47    53    56   7.00000 -1.0 2.0
   45    43   -59    55  -0.25600  1.0 1.0
   45    43   -59    55  -0.40050 -1.0 2.0
   45    43   -59    55   0.34700  1.0 3.0
   45    43    47    33   0.17250  1.0 1.0
   45    43    47    33  -0.04100 -1.0 2.0
   45    43    47    33  -0.33850  1.0 3.0
   45    43    47    53  -0.51250  1.0 1.0
   45    43    47    53  -0.88800 -1.0 2.0
   45    43    47    53   0.08850  1.0 3.0
   45    52    55    57   3.62500 -1.0 2.0
   45    52   -55    59   3.62500 -1.0 2.0
   45    52    71    65   3.62500 -1.0 2.0
   45    52    71    72   3.62500 -1.0 2.0
   46    45    52    55   1.05000 -1.0 2.0
   46    45    52    71   1.05000 -1.0 2.0
   52    55    57    58   3.62500 -1.0 2.0
   52    55    57    64   3.62500 -1.0 2.0
   52    55   -59    43   1.63200 -1.0 2.0
   52    71    72    73   0.84100 -1.0 2.0
   55    52    71    65   3.62500 -1.0 2.0
   55    52    71    72   3.62500 -1.0 2.0
   55    57   -64    65   3.62500 -1.0 2.0
   55    57    64    67   3.62500 -1.0 2.0
   57    55    59    43   1.63200 -1.0 2.0
   57    64    65    66   3.62500 -1.0 2.0
   57    64    65    71   3.62500 -1.0 2.0
   57    64    67    68   0.00000  1.0 1.0
   57    64    67    69   0.00000  1.0 1.0
   57    64    67    70   0.00000  1.0 1.0
   58    57    64    65   3.62500 -1.0 2.0
   58    57    64    67   3.62500 -1.0 2.0
   64    65   -71    52   3.62500 -1.0 2.0
   64    65    71    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    52   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    52   -55    57   3.62500 -1.0 2.0
   71    52    55    59   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    71   3.62500 -1.0 2.0
   59    43    45    46   0.30150 -1.0 2.0
   59    43   -45    52   0.65300  1.0 1.0
   59    43   -45    52  -0.03850 -1.0 2.0
   59    43   -45    52   0.33900  1.0 3.0
   59    43    47    33   0.09700  1.0 1.0
   59    43    47    33   0.15600 -1.0 2.0
   59    43    47    33  -0.50800  1.0 3.0
   59    43    47    53   0.39000  1.0 1.0
   59    43    47    53  -0.05800 -1.0 2.0
   59    43    47    53  -0.55150  1.0 3.0
   59    55    57    58   3.62500 -1.0 2.0
   59    55    57    64   3.62500 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    52   0.65300  1.0 1.0
   47    43    45    52  -0.03850 -1.0 2.0
   47    43    45    52   0.33900  1.0 3.0
   47    43    59    55  -0.25600  1.0 1.0
   47    43    59    55  -0.40050 -1.0 2.0
   47    43    59    55   0.34700  1.0 3.0
   47    53    56    60  -2.26850  1.0 1.0
   47    53    56    60   3.39050 -1.0 2.0
   53    56    60    61   0.08050  1.0 3.0
   53    56    60    62   0.08050  1.0 3.0
   53    56    60    63   0.08050  1.0 3.0
   54    53    56    60   2.00000 -1.0 2.0
   44    42    43    45   0.09700  1.0 1.0
   44    42    43    45   0.15600 -1.0 2.0
   44    42    43    45  -0.50800  1.0 3.0
   44    42    43    59   0.09700  1.0 1.0
   44    42    43    59   0.15600 -1.0 2.0
   44    42    43    59  -0.50800  1.0 3.0
   44    42    43    47   0.09700  1.0 1.0
   44    42    43    47   0.15600 -1.0 2.0
   44    42    43    47  -0.50800  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
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
   43    52    45    46  10.50000 -1.0 2.0
   55    71    52    45   4.00000 -1.0 2.0
   57    59    55    52   4.00000 -1.0 2.0
   64    58    57    55   1.10000 -1.0 2.0
   65    67    64    57   4.00000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    72    71    52   4.00000 -1.0 2.0
   33    43    47    53   1.10000 -1.0 2.0
   54    56    53    47   1.10000 -1.0 2.0
END
