* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    136    232     408
    1     0 S   NP   _N1_     1    29.03615    95.46099   -20.72908
    2     1 S   H    _HN1     2     1.02828    38.79640   166.94750
    3     1 S   H    _H1_     3     1.02774    89.64814   -73.13935
    4     1 S   H    _H2_     4     1.02954    81.38430    35.52362
    5     1 S   CT   _CA1     5     1.50130   148.72567   150.86743
    6     5 S   HC   _HA1     6     1.09580   105.15721    69.79886
    7     5 S   CO3  _C1_     7     1.53688   112.44697   -50.25737
    8     7 S   O2Z  _O11     8     1.26345   114.91376   -41.96140
    9     7 S   O2Z  _O12     9     1.26234   114.84606   136.95762
   10     5 S   CT   _CB1    10     1.53049   107.40788  -172.37193
   11    10 S   HC   HB11    11     1.09826   109.05286   -51.12464
   12    10 S   HC   HB12    12     1.09816   110.54876    65.37842
   13    10 S   CT   _CG1    13     1.53006   112.74317  -172.25894
   14    13 S   HC   HG11    14     1.09594   110.48180   -69.25470
   15    13 S   HC   HG12    15     1.09674   109.90979    49.98025
   16    13 S   C    _CD1    16     1.51842   112.24060   170.12791
   17    16 S   O    _OE1    17     1.22736   123.29472     3.85138
   18    16 S   N    _N2_    18     1.38613   111.68622  -175.95833
   19    18 S   H    _HN2    19     1.01606   118.89942    -0.23155
   20    18 S   CT1  _CA2    20     1.46283   123.38255   177.19049
   21    20 S   HC   _HA2    21     1.09744   109.33397   -11.81410
   22    20 S   C    _C2_    22     1.53396   108.10533  -127.14197
   23    22 S   O    _O2_    23     1.23012   122.46004  -146.71078
   24    20 S   CT   _CB2    32     1.53255   111.54978   110.49256
   25    24 S   HC   HB21    33     1.09486   109.83843    54.85409
   26    24 S   HC   HB22    34     1.09513   110.73414   173.19871
   27    22 S   N    _N3_    24     1.38387   113.35437    40.74650
   28    27 S   H    _HN3    25     1.01650   119.49292    -3.63313
   29    24 S   S    _SG2    35     1.82834   111.33035   -67.93530
   30    27 S   CT   _CA3    26     1.45291   123.14779   176.93541
   31    30 S   HC   HA31    27     1.09552   107.54935   -63.19882
   32    30 S   HC   HA32    28     1.09557   107.92484    53.21457
   33    29 S   CT   _C23    36     1.84060   100.05440   147.87195
   34    33 S   HC   _H3_    37     1.09745   106.93347    41.19687
   35    30 S   CO3  _C3_    29     1.52940   114.10546   175.16568
   36    35 S   O2Z  _O31    30     1.26369   116.03506    -1.10464
   37    35 S   O2Z  _O32    31     1.26423   114.42321   178.95732
   38    33 S   CT   _C21    38     1.54224   111.21756   -77.52744
   39    38 S   HC   _H34    39     1.09464   108.61423    43.45715
   40    38 S   CA   _C19    40     1.51997   115.51424   -79.51812
   41    38 S   OH   _O22    72     1.43077   109.28078   159.44076
   42    41 S   HO   _H38    73     0.97206   107.68590   -61.83000
   43    40 S   CA   _C15    41     1.43301   120.47264   162.90246
   44    40 S   CA   _C18    61     1.40977   119.78159   -18.78334
   45    43 S   CA   _C10    42     1.41315   123.76419    -0.04846
   46    45 S   HA   _H31    43     1.08709   121.13267     0.61612
   47    44 S   CT   _C20    62     1.51422   123.22577     1.05851
   48    47 S   HC   _H33    63     1.09759   107.99444  -131.50447
   49    43 S   CR3  _C17    70     1.41963   119.37289   179.70261
   50    45 S   CA   _C8_    44     1.39708   122.31190  -179.82086
   51    50 S   HA   _H29    45     1.08800   118.72670   179.71954
   52    33 S   CT   _C22    64     1.53687   110.79889   158.10907
   53    52 S   HC   _H35    65     1.09750   110.00526   -52.42911
   54    47 S   OH   _O21    68     1.42956   108.77356   112.95359
   55    54 S   HO   _H37    69     0.97362   107.73560   -57.36541
   56    57 S   CR3  _C16    71     1.41121   118.99647    -0.01978
   57    50 S   CA   _C13    46     1.39458   120.65187    -0.22381
   58    52 S   OH   _O23    66     1.43228   109.60274  -168.58037
   59    58 S   HO   _H39    67     0.97228   107.75656    59.02282
   60    57 S   CA   _C6_    47     1.40293   121.18427   179.89165
   61    60 S   HA   _H27    48     1.08782   120.57076    -0.29739
   62    60 S   CA   _C4_    49     1.39245   120.57816  -179.88986
   63    62 S   HA   _H25    50     1.08610   119.98356   179.72589
   64    62 S   CA   _C5_    51     1.39253   120.00073    -0.09279
   65    64 S   HA   _H26    52     1.08781   118.81180   179.88986
   66    64 S   CA   _C12    53     1.40264   120.57480     0.05234
   67    66 S   CA   _C7_    54     1.39782   121.00214   180.00000
   68    67 S   HA   _H28    55     1.08781   120.68340    -0.04846
   69    67 S   CA   _C9_    56     1.39354   120.50557   179.88297
   70    69 S   HA   _H30    57     1.08827   118.56188  -179.81977
   71    69 S   CA   _C14    58     1.40140   120.87732     0.14265
   72    71 S   CA   _C11    59     1.39634   120.50268  -179.58082
   73    72 S   HA   _H32    60     1.09003   119.52516     0.07402
  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
  15   8   2   1   1  13   6  16   4   1  13  13   8   4  10   6
  12   7   3   6   3   3   1  12   8   1   1   6   3   5   3   5
   2   5   5   3   4   2   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    52    53    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    48    52    53    58    59    54    41    42  
   38    39    40    47    52    53    58    41  
   36    37  
   37  
    0  
   39    40    43    45    72    44    47    52    53    58    49    41    42  
   40    43    44    52    41    42  
   43    45    46    50    71    72    73    44    47    48    52    54    49    56    41    42  
   42    43    44    52  
    0  
   45    46    50    51    57    66    69    71    72    44    47    49    56  
   47    48    52    53    58    54    55    49    45    69    71    72    73  
   46    50    51    57    60    71    49    56  
   50    51    57    49  
   48    52    53    58    59    54    55    71    72    73  
   52    53    58    54    55    72  
   56    50    57    60    64    66    67    69    70    71    72    73  
   51    57    60    61    62    66    56  
   57    60    56  
   53    58    59    54    55    72  
   58    59    54  
   55    58    72  
    0  
   57    60    61    62    64    65    66    67    68    69    71    72  
   60    61    62    63    64    66    67    71  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68    69  
   66    67  
   67    68    69    70    71  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73  
   71    72  
   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   2.5000   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   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   469.000  1.400
   40    44   469.000  1.400
   43    45   469.000  1.400
   43    49   490.000  1.398
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    60   469.000  1.400
   57    56   490.000  1.398
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    56   490.000  1.398
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    49   490.000  1.398
   72    73   367.000  1.080
   72    44   469.000  1.400
   44    47   317.000  1.510
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    54   320.000  1.410
   52    53   340.000  1.090
   52    58   320.000  1.410
   58    59   553.000  0.945
   54    55   553.000  0.945
   49    56   490.000  1.398
   41    42   553.000  0.945
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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  120.00000
   38    40    44    70.00000  120.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    45    63.00000  120.00000
   40    43    49    70.00000  112.88000
   40    44    72    63.00000  120.00000
   40    44    47    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    49    71    60.00000  130.80000
   43    49    56    60.00000  130.80000
   45    50    51    35.00000  120.00000
   45    50    57    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    57    60    63.00000  120.00000
   50    57    56    70.00000  112.88000
   57    50    51    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    62    63.00000  120.00000
   57    56    66    60.00000  130.80000
   57    56    49    60.00000  130.80000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    56    70.00000  112.88000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    56    49    60.00000  130.80000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    49    70.00000  112.88000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    44    63.00000  120.00000
   71    49    56    60.00000  130.80000
   72    44    47    70.00000  120.00000
   44    40    43    63.00000  120.00000
   44    72    73    35.00000  120.00000
   44    47    48    35.00000  109.50000
   44    47    52    70.00000  112.17500
   44    47    54    90.00000  112.51600
   47    52    53    37.50000  110.70000
   47    52    58    50.00000  109.50000
   47    54    55    55.00000  108.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    58    59    55.00000  108.50000
   58    52    53    35.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    52    50.00000  109.50000
   49    43    45    70.00000  112.88000
   49    71    72    70.00000  112.88000
   56    57    60    70.00000  112.88000
   56    66    67    70.00000  112.88000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  112.51600
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.56750  1.0 1.0
   29    33    52    58  -0.07550 -1.0 2.0
   29    33    52    58   0.20000  1.0 3.0
   33    38    40    43   0.04150 -1.0 2.0
   33    38    40    44   0.04150 -1.0 2.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    52    58    59  -0.11600  1.0 1.0
   33    52    58    59  -0.09450 -1.0 2.0
   33    52    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    52    47   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    58   0.23400  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    58   0.86500  1.0 1.0
   38    33    52    58  -0.17500 -1.0 2.0
   38    33    52    58   0.20800  1.0 3.0
   38    40    43    45   3.62500 -1.0 2.0
   38    40    43    49   3.62500 -1.0 2.0
   38    40    44    72   3.62500 -1.0 2.0
   38    40   -44    47   3.62500 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42   0.31900  1.0 1.0
   40    38    41    42  -0.11800 -1.0 2.0
   40    38    41    42   0.38750  1.0 3.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    49    71   3.62500 -1.0 2.0
   40    43    49    56   3.62500 -1.0 2.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    52   0.04150 -1.0 2.0
   40    44    47    54   0.14300 -1.0 2.0
   40    44    47    54   0.00300  1.0 3.0
   43    40    44    72   3.62500 -1.0 2.0
   43    40    44    47   3.62500 -1.0 2.0
   43    45    50    51   3.62500 -1.0 2.0
   43    45    50    57   3.62500 -1.0 2.0
   43    49   -56    57   3.62500 -1.0 2.0
   43    49    56    66   3.62500 -1.0 2.0
   45    43    49    71   3.62500 -1.0 2.0
   45    43    49    56   3.62500 -1.0 2.0
   45    50    57    60   3.62500 -1.0 2.0
   45    50   -57    56   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    57   3.62500 -1.0 2.0
   50    57    60    61   3.62500 -1.0 2.0
   50    57    60    62   3.62500 -1.0 2.0
   50    57    56    66   3.62500 -1.0 2.0
   50    57    56    49   3.62500 -1.0 2.0
   51    50    57    60   3.62500 -1.0 2.0
   51    50    57    56   3.62500 -1.0 2.0
   57    60    62    63   3.62500 -1.0 2.0
   57    60    62    64   3.62500 -1.0 2.0
   60    57    56    66   3.62500 -1.0 2.0
   60    57    56    49   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62   -64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    56   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    69   3.62500 -1.0 2.0
   64    66   -56    57   3.62500 -1.0 2.0
   64    66    56    49   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    56   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    56    57   3.62500 -1.0 2.0
   67    66    56    49   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    49   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    44   3.62500 -1.0 2.0
   69    71    49    43   3.62500 -1.0 2.0
   69    71    49    56   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    49   3.62500 -1.0 2.0
   71    72   -44    40   3.62500 -1.0 2.0
   71    72    44    47   3.62500 -1.0 2.0
   71    49    56    57   3.62500 -1.0 2.0
   71    49   -56    66   3.62500 -1.0 2.0
   72    71   -49    43   3.62500 -1.0 2.0
   72    71    49    56   3.62500 -1.0 2.0
   72    44    47    48   0.00000  1.0 1.0
   72    44    47    52   0.04150 -1.0 2.0
   72    44    47    54   0.14300 -1.0 2.0
   72    44    47    54   0.00300  1.0 3.0
   73    72    44    40   3.62500 -1.0 2.0
   73    72    44    47   3.62500 -1.0 2.0
   44    40    43    45   3.62500 -1.0 2.0
   44    40    43    49   3.62500 -1.0 2.0
   44    47   -52    33  -0.03700  1.0 1.0
   44    47   -52    33   0.37200 -1.0 2.0
   44    47   -52    33  -0.47300  1.0 3.0
   44    47    52    53   0.43200  1.0 3.0
   44    47    52    58   1.13150  1.0 1.0
   44    47    52    58  -1.01400 -1.0 2.0
   44    47    54    55   0.31900  1.0 1.0
   44    47    54    55  -0.11800 -1.0 2.0
   44    47    54    55   0.38750  1.0 3.0
   47    52    58    59  -0.11600  1.0 1.0
   47    52    58    59  -0.09450 -1.0 2.0
   47    52    58    59   0.21250  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    58   0.23400  1.0 3.0
   48    47    54    55   0.19450  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.03700  1.0 1.0
   52    33   -38    40   0.37200 -1.0 2.0
   52    33   -38    40  -0.47300  1.0 3.0
   52    33    38    41   0.86500  1.0 1.0
   52    33    38    41  -0.17500 -1.0 2.0
   52    33    38    41   0.20800  1.0 3.0
   52    47    54    55  -0.11600  1.0 1.0
   52    47    54    55  -0.09450 -1.0 2.0
   52    47    54    55   0.21250  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   54    47    52    33   0.86500  1.0 1.0
   54    47    52    33  -0.17500 -1.0 2.0
   54    47    52    33   0.20800  1.0 3.0
   54    47    52    53   0.23400  1.0 3.0
   54    47    52    58   3.75450  1.0 1.0
   49    43    45    46   3.62500 -1.0 2.0
   49    43   -45    50   3.62500 -1.0 2.0
   49    71    72    73   3.62500 -1.0 2.0
   49    71   -72    44   3.62500 -1.0 2.0
   56    57    60    61   3.62500 -1.0 2.0
   56    57   -60    62   3.62500 -1.0 2.0
   56    66    67    68   3.62500 -1.0 2.0
   56    66   -67    69   3.62500 -1.0 2.0
   41    38    40    43   0.14300 -1.0 2.0
   41    38    40    43   0.00300  1.0 3.0
   41    38    40    44   0.14300 -1.0 2.0
   41    38    40    44   0.00300  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
   43    44    40    38   4.00000 -1.0 2.0
   45    49    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   57    51    50    45   1.10000 -1.0 2.0
   60    56    57    50   4.00000 -1.0 2.0
   62    61    60    57   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    56    66    64   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    49    71    69   4.00000 -1.0 2.0
   44    73    72    71   1.10000 -1.0 2.0
   72    47    44    40   4.00000 -1.0 2.0
   71    56    49    43   4.00000 -1.0 2.0
   66    49    56    57   4.00000 -1.0 2.0
END
