* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    130    220     391
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096    82.26530    51.99251
    3     1 S   H    _H1_     3     1.02149    34.96716  -168.69571
    4     1 S   H    _H2_     4     1.02104    97.10890   -56.01679
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.82828    97.93969  -158.13990
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C19    37     1.51432   107.17708    79.97164
   38    37 S   O    _O24    38     1.22801   123.17475   -88.35352
   39    33 S   CM   _C21    49     1.51565   110.73011  -156.75323
   40    33 S   OH   _O30    74     1.42612   110.94960   -33.24547
   41    40 S   HO   _H41    75     0.96876   106.47657    55.04031
   42    37 S   CA   _C9_    39     1.47139   116.75855    89.36621
   43    39 S   CM   _C20    50     1.46584   113.65300    82.10303
   44    42 S   CA   _C5_    40     1.40344   118.64135  -157.50224
   45    44 S   HA   _H33    41     1.08803   120.91808    -0.73435
   46    43 S   CO4  _C18    51     1.49485   118.04492   -40.55984
   47    46 S   O    _O23    52     1.22715   120.40102    -0.01978
   48    44 S   CA   _C13    42     1.38976   119.94217   178.29418
   49    46 S   CA   _C11    53     1.47507   118.44881  -179.98022
   50    48 S   CA   _C6_    43     1.38885   119.59479    -0.00000
   51    50 S   HA   _H34    44     1.08766   119.78984  -179.41349
   52    49 S   CA   _C8_    54     1.39271   120.64448    -0.07913
   53    48 S   OH   _O26    72     1.36052   120.18927  -179.57618
   54    53 S   HO   _H37    73     0.97114   110.32882    -0.00000
   55    50 S   CA   _C14    45     1.39894   120.12931     0.44411
   56    52 S   CA   _C4_    55     1.40045   120.01029  -179.91844
   57    56 S   HA   _H32    56     1.08737   120.90496   179.97202
   58    52 S   CO4  _C17    65     1.47097   120.36949     0.02798
   59    58 S   O    _O22    66     1.22567   121.04461   179.96574
   60    42 S   CA   _C10    46     1.40181   119.27957    21.56367
   61    56 S   CA   _C12    57     1.39468   120.04210    -0.03426
   62    43 S   CM   _C22    67     1.34443   121.71981   139.37336
   63    55 S   OH   _O27    70     1.36862   114.94146  -178.51628
   64    63 S   HO   _H38    71     0.96832   109.84849   180.00000
   65    60 S   CMA  _C16    47     1.52027   122.74129     3.87257
   66    65 S   OM   _O21    48     1.27056   119.96037   162.98536
   67    61 S   CA   _C7_    58     1.39346   119.99665     0.02798
   68    67 S   HA   _H35    59     1.08727   119.83595  -179.96044
   69    61 S   OH   _O25    63     1.36078   120.01271  -180.00000
   70    69 S   HO   _H36    64     0.97103   110.29142     0.02798
   71    62 S   OH   _O29    68     1.38382   121.44551     0.07402
   72    71 S   HO   _H40    69     0.96015   109.62128   179.96574
   73    49 S   CA   _C15    60     1.40119   119.54118   179.97202
   74    73 S   OH   _O28    61     1.36348   122.92818    -0.03956
   75    74 S   HO   _H39    62     0.96982   110.08854     0.03426
  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
  13   2   1   1  12   5  14   4   1  10  13   9   4  11   4   7
  12   8   4  11   2   1   5  10   4   6   2   4   6   3   2   1
   1   1   6   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    65    39    43    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    44    60    65    66    39    43    46    62    40    41  
   35    36  
   36  
    0  
   38    42    44    45    48    55    60    65    39    43    40    41  
   42    44    60    39    40  
   43    46    47    49    58    62    71    40    41    42    55    60    65    66  
   41    42    43    65  
    0  
   44    45    48    50    55    60    65    66    63    53  
   46    47    49    52    73    58    59    62    71    72    60    65    66  
   45    48    50    51    55    60    65    53    54  
   48    50    60    53  
   47    49    52    56    67    73    74    58    62    71    65  
   49    52    73    62  
   50    51    55    60    63    53    54  
   52    56    57    61    67    68    73    74    75    58    59    62  
   51    55    60    65    63    64    53    54  
   55    60    63    53  
   56    57    61    67    73    74    69    58    59    62    71  
   54    55  
    0  
   60    65    66    63    64  
   57    61    67    68    73    69    70    58    59    62  
   61    67    69    58  
   59    62    71    72    61    73  
   62    71  
   65    66    63    64  
   67    68    73    74    69    70  
   71    72    65  
   64    65  
    0  
   66  
    0  
   68    73    74    75    69    70  
   73    74    69  
   70    73  
    0  
   72  
    0  
   74    75  
   75  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   317.000  1.510
   33    40   320.000  1.410
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    44   469.000  1.400
   42    60   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    50   469.000  1.400
   48    53   450.000  1.364
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    60   469.000  1.400
   55    63   450.000  1.364
   60    65   320.000  1.460
   65    66   745.000  1.250
   65    39   465.000  1.376
   39    43   380.000  1.444
   43    46   320.000  1.462
   43    62   549.000  1.340
   46    47   570.000  1.229
   46    49   310.000  1.470
   49    52   469.000  1.400
   49    73   469.000  1.400
   52    56   469.000  1.400
   52    58   310.000  1.470
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    67   469.000  1.400
   61    69   450.000  1.364
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   450.000  1.364
   74    75   553.000  0.945
   69    70   553.000  0.945
   58    59   570.000  1.229
   58    62   320.000  1.462
   62    71   510.000  1.338
   71    72   553.000  0.945
   63    64   553.000  0.945
   53    54   553.000  0.945
   40    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  112.20000
   29    33    40    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    39    65    70.00000  124.00000
   33    39    43    60.00000  124.00000
   33    40    41    55.00000  108.50000
   37    42    44    60.00000  119.52600
   37    42    60    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    44    45    35.00000  120.00000
   42    44    48    63.00000  120.00000
   42    60    55    63.00000  120.00000
   42    60    65    60.00000  120.93500
   44    48    50    63.00000  120.00000
   44    48    53    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    55    63.00000  120.00000
   48    53    54    35.00000  113.00000
   50    55    60    63.00000  120.00000
   50    55    63    70.00000  120.00000
   55    50    51    35.00000  120.00000
   55    60    65    60.00000  120.93500
   55    63    64    35.00000  113.00000
   60    42    44    63.00000  120.00000
   60    65    66    85.00000  114.86500
   60    65    39    60.00000  123.20500
   65    39    43    60.00000  124.00000
   39    33    37    70.00000  109.06800
   39    65    66    65.00000  137.10300
   39    43    46    60.00000  124.00000
   39    43    62    60.00000  124.00000
   43    46    47    80.00000  123.72100
   43    46    49    65.00000  117.02400
   43    62    58    65.00000  118.96000
   43    62    71    80.00000  121.38400
   46    49    52    60.00000  119.52600
   46    49    73    60.00000  119.52600
   49    46    47    75.00000  123.78400
   49    52    56    63.00000  120.00000
   49    52    58    60.00000  119.52600
   49    73    67    63.00000  120.00000
   49    73    74    70.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    61    63.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    62    65.00000  117.02400
   56    61    67    63.00000  120.00000
   56    61    69    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    67    68    35.00000  120.00000
   61    67    73    63.00000  120.00000
   61    69    70    35.00000  113.00000
   67    73    74    70.00000  120.00000
   73    49    52    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    74    75    35.00000  113.00000
   69    61    67    70.00000  120.00000
   58    52    56    60.00000  119.52600
   58    62    71    85.00000  116.28000
   62    43    46    65.00000  118.96000
   62    58    59    80.00000  123.72100
   62    71    72    70.00000  107.45700
   63    55    60    70.00000  120.00000
   53    48    50    70.00000  120.00000
   40    33    37    90.00000  109.61100
   40    33    39    90.00000  110.39200
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    39    65   0.42700  1.0 1.0
   29    33    39    65  -0.70350 -1.0 2.0
   29    33    39    65  -0.43150  1.0 3.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    44   2.26350  1.0 1.0
   33    37    42    44   0.76750 -1.0 2.0
   33    37    42    44   0.22500  1.0 3.0
   33    37    42    60   2.26350  1.0 1.0
   33    37    42    60   0.76750 -1.0 2.0
   33    37    42    60   0.22500  1.0 3.0
   33    39    43    46   1.08500 -1.0 2.0
   33    39    43    62  -0.18600  1.0 3.0
   37    33    39    65  -0.51250  1.0 1.0
   37    33    39    65  -0.88800 -1.0 2.0
   37    33    39    65   0.08850  1.0 3.0
   37    33    39    43  -0.51250  1.0 1.0
   37    33    39    43  -0.88800 -1.0 2.0
   37    33    39    43   0.08850  1.0 3.0
   37    33    40    41   0.91850  1.0 1.0
   37    33    40    41   0.57950  1.0 3.0
   37    42    44    45   3.62500 -1.0 2.0
   37    42    44    48   3.62500 -1.0 2.0
   37    42    60    55   3.62500 -1.0 2.0
   37    42   -60    65   3.62500 -1.0 2.0
   38    37    42    44   1.05000 -1.0 2.0
   38    37    42    60   1.05000 -1.0 2.0
   42    44    48    50   3.62500 -1.0 2.0
   42    44    48    53   3.62500 -1.0 2.0
   42    60    65    66  -0.01750  1.0 1.0
   42    60    65    66  -0.32000 -1.0 2.0
   42    60    65    66   0.00600  1.0 3.0
   42    60    65    39   0.15800  1.0 1.0
   42    60    65    39   1.85350 -1.0 2.0
   42    60    65    39  -0.48700  1.0 3.0
   44    42    60    55   3.62500 -1.0 2.0
   44    42    60    65   3.62500 -1.0 2.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48   -50    55   3.62500 -1.0 2.0
   44    48    53    54   0.84100 -1.0 2.0
   45    44    48    50   3.62500 -1.0 2.0
   45    44    48    53   3.62500 -1.0 2.0
   48    50    55    60   3.62500 -1.0 2.0
   48    50    55    63   3.62500 -1.0 2.0
   50    48    53    54   0.84100 -1.0 2.0
   50    55   -60    42   3.62500 -1.0 2.0
   50    55    60    65   3.62500 -1.0 2.0
   50    55    63    64   0.84100 -1.0 2.0
   51    50    55    60   3.62500 -1.0 2.0
   51    50    55    63   3.62500 -1.0 2.0
   55    60    65    66  -0.01750  1.0 1.0
   55    60    65    66  -0.32000 -1.0 2.0
   55    60    65    66   0.00600  1.0 3.0
   55    60    65    39   0.15800  1.0 1.0
   55    60    65    39   1.85350 -1.0 2.0
   55    60    65    39  -0.48700  1.0 3.0
   60    42    44    45   3.62500 -1.0 2.0
   60    42   -44    48   3.62500 -1.0 2.0
   60    55    63    64   0.84100 -1.0 2.0
   60    65   -39    33   7.00000 -1.0 2.0
   60    65    39    43   7.00000 -1.0 2.0
   65    39    43    46  -0.18600  1.0 3.0
   65    39    43    62   0.28850  1.0 1.0
   65    39    43    62   2.61350 -1.0 2.0
   65    39    43    62   0.78400  1.0 3.0
   66    65    39    33   7.00000 -1.0 2.0
   66    65    39    43   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    42   0.65300  1.0 1.0
   39    33   -37    42  -0.03850 -1.0 2.0
   39    33   -37    42   0.33900  1.0 3.0
   39    33    40    41  -0.07800  1.0 1.0
   39    33    40    41  -0.21500 -1.0 2.0
   39    33    40    41  -0.03150  1.0 3.0
   39    43    46    47   1.00000 -1.0 2.0
   39    43    46    49  -1.65800  1.0 1.0
   39    43    46    49   0.77650 -1.0 2.0
   39    43    62    58   7.00000 -1.0 2.0
   39    43    62    71   7.00000 -1.0 2.0
   43    46    49    52  -0.11500  1.0 1.0
   43    46    49    52   1.10450 -1.0 2.0
   43    46    49    52  -0.48050  1.0 3.0
   43    46    49    73  -0.11500  1.0 1.0
   43    46    49    73   1.10450 -1.0 2.0
   43    46    49    73  -0.48050  1.0 3.0
   43    62    71    72  -0.66100  1.0 1.0
   43    62    71    72   1.20850 -1.0 2.0
   43    62    71    72  -0.36000  1.0 3.0
   46    43    62    58   7.00000 -1.0 2.0
   46    43    62    71   7.00000 -1.0 2.0
   46    49    52    56   3.62500 -1.0 2.0
   46    49   -52    58   3.62500 -1.0 2.0
   46    49    73    67   3.62500 -1.0 2.0
   46    49    73    74   3.62500 -1.0 2.0
   47    46    49    52   1.05000 -1.0 2.0
   47    46    49    73   1.05000 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    56    61   3.62500 -1.0 2.0
   49    52    58    59   1.05000 -1.0 2.0
   49    52    58    62  -0.11500  1.0 1.0
   49    52    58    62   1.10450 -1.0 2.0
   49    52    58    62  -0.48050  1.0 3.0
   49    73    74    75   0.84100 -1.0 2.0
   52    49    73    67   3.62500 -1.0 2.0
   52    49    73    74   3.62500 -1.0 2.0
   52    56   -61    67   3.62500 -1.0 2.0
   52    56    61    69   3.62500 -1.0 2.0
   52    58   -62    43  -1.65800  1.0 1.0
   52    58   -62    43   0.77650 -1.0 2.0
   52    58    62    71   1.50000 -1.0 2.0
   56    52    58    59   1.05000 -1.0 2.0
   56    52    58    62  -0.11500  1.0 1.0
   56    52    58    62   1.10450 -1.0 2.0
   56    52    58    62  -0.48050  1.0 3.0
   56    61    67    68   3.62500 -1.0 2.0
   56    61    67    73   3.62500 -1.0 2.0
   56    61    69    70   0.84100 -1.0 2.0
   57    56    61    67   3.62500 -1.0 2.0
   57    56    61    69   3.62500 -1.0 2.0
   61    67   -73    49   3.62500 -1.0 2.0
   61    67    73    74   3.62500 -1.0 2.0
   67    61    69    70   0.84100 -1.0 2.0
   67    73    74    75   0.84100 -1.0 2.0
   68    67    73    49   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   73    49   -52    56   3.62500 -1.0 2.0
   73    49    52    58   3.62500 -1.0 2.0
   69    61    67    68   3.62500 -1.0 2.0
   69    61    67    73   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   58    52    56    61   3.62500 -1.0 2.0
   58    62    71    72   2.00000 -1.0 2.0
   59    58    62    43   1.00000 -1.0 2.0
   59    58    62    71  -0.11900  1.0 1.0
   59    58    62    71   0.76850 -1.0 2.0
   59    58    62    71   0.14100  1.0 3.0
   62    43    46    47   1.00000 -1.0 2.0
   62    43   -46    49  -1.65800  1.0 1.0
   62    43   -46    49   0.77650 -1.0 2.0
   63    55    60    42   3.62500 -1.0 2.0
   63    55    60    65   3.62500 -1.0 2.0
   53    48    50    51   3.62500 -1.0 2.0
   53    48    50    55   3.62500 -1.0 2.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    42   0.65300  1.0 1.0
   40    33    37    42  -0.03850 -1.0 2.0
   40    33    37    42   0.33900  1.0 3.0
   40    33    39    65   0.67800  1.0 1.0
   40    33    39    65   0.47050 -1.0 2.0
   40    33    39    65  -0.62500  1.0 3.0
   40    33    39    43  -0.17300  1.0 1.0
   40    33    39    43   0.35150 -1.0 2.0
   40    33    39    43   0.31550  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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    60    42    37   4.00000 -1.0 2.0
   48    45    44    42   1.10000 -1.0 2.0
   50    53    48    44   4.00000 -1.0 2.0
   55    51    50    48   1.10000 -1.0 2.0
   60    63    55    50   4.00000 -1.0 2.0
   55    65    60    42   4.00000 -1.0 2.0
   60    66    65    39   1.10000 -1.0 2.0
   33    43    39    65   1.10000 -1.0 2.0
   39    46    43    62   1.10000 -1.0 2.0
   43    49    46    47  10.50000 -1.0 2.0
   52    73    49    46   4.00000 -1.0 2.0
   56    58    52    49   4.00000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
   67    69    61    56   4.00000 -1.0 2.0
   73    68    67    61   1.10000 -1.0 2.0
   67    74    73    49   4.00000 -1.0 2.0
   52    62    58    59  10.50000 -1.0 2.0
   58    71    62    43   1.10000 -1.0 2.0
END
