* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    31.69387   101.09529   -22.77656
    2     1 S   H    _HN1     2     1.02822    13.02904   163.58972
    3     1 S   H    _H1_     3     1.02784   120.35788   172.98415
    4     1 S   H    _H2_     4     1.03385   101.05917   -69.52709
    5     1 S   CT   _CA1     5     1.50028   105.78157    46.37074
    6     5 S   HC   _HA1     6     1.09332   104.68969  -165.44149
    7     5 S   CO3  _C1_     7     1.53770   112.68327    74.86364
    8     7 S   O2Z  _O11     8     1.26342   115.21561   -40.76221
    9     7 S   O2Z  _O12     9     1.26332   115.03339   138.61819
   10     5 S   CT   _CB1    10     1.53405   107.38766   -46.49561
   11    10 S   HC   HB11    11     1.09791   109.90024   -42.54199
   12    10 S   HC   HB12    12     1.09794   109.33560    73.89794
   13    10 S   CT   _CG1    13     1.53104   114.03477  -165.05749
   14    13 S   HC   HG11    14     1.09696   109.29096  -162.44105
   15    13 S   HC   HG12    15     1.09306   112.08075   -44.67710
   16    13 S   C    _CD1    16     1.51479   111.31296    79.90192
   17    16 S   O    _OE1    17     1.22894   121.49409    83.73635
   18    16 S   N    _N2_    18     1.38223   113.42706   -94.36014
   19    18 S   H    _HN2    19     1.01631   119.17048     1.07865
   20    18 S   CT1  _CA2    20     1.46417   123.37134   178.22469
   21    20 S   HC   _HA2    21     1.09747   109.38385    11.21839
   22    20 S   C    _C2_    22     1.53551   108.53524  -104.49147
   23    22 S   O    _O2_    23     1.23062   122.41914  -139.15071
   24    20 S   CT   _CB2    32     1.53360   111.15752   133.10563
   25    24 S   HC   HB21    33     1.09347   109.19314    56.83879
   26    24 S   HC   HB22    34     1.09522   110.48159   175.24087
   27    22 S   N    _N3_    24     1.38505   113.79924    47.88494
   28    27 S   H    _HN3    25     1.01543   119.69074    -0.61006
   29    24 S   S    _SG2    35     1.83477   110.78645   -65.70025
   30    27 S   CT   _CA3    26     1.45366   122.78970   176.99385
   31    30 S   HC   HA31    27     1.09547   107.19868   -72.50174
   32    30 S   HC   HA32    28     1.09569   108.28086    43.88607
   33    29 S   CT   _C11    36     1.88776   101.91765   152.20283
   34    33 S   OM   _O40    37     1.31605   108.52747    57.76187
   35    30 S   CO3  _C3_    29     1.52847   114.52869   166.19631
   36    35 S   O2Z  _O31    30     1.26403   116.27586     0.72632
   37    35 S   O2Z  _O32    31     1.26391   114.49235  -178.66367
   38    33 S   CO4  _C10    38     1.52226   105.62514   -63.26044
   39    38 S   O    _O33    39     1.22947   124.83647   106.58076
   40    33 S   CT   _C12    50     1.56444   107.94886   177.55816
   41    40 S   HC   _H3_    51     1.09475   104.67351   -35.78592
   42    38 S   CA   _C9_    40     1.48093   116.63406   -70.46213
   43    40 S   CM   _C14    52     1.54620   118.19979  -155.74915
   44    42 S   CA   _C4_    41     1.40136   118.28039   152.03665
   45    44 S   HA   _H4_    42     1.08695   120.60118     0.55567
   46    43 S   CM   _C19    53     1.35851   126.01342   113.88097
   47    44 S   CA   _C5_    43     1.39099   119.52205  -178.37141
   48    46 S   CM   _C18    54     1.47385   121.92275  -172.47720
   49    47 S   CA   _C6_    44     1.38912   120.69195    -0.94543
   50    49 S   HA   _H5_    45     1.08672   120.17112  -179.81129
   51    48 S   CM   _C17    55     1.46677   118.03287   -16.84464
   52    48 S   CMA  _C23    62     1.36166   119.12152   162.76855
   53    52 S   OM   _O36    63     1.26458   131.89192   179.13047
   54    47 S   OH   _O42    72     1.36596   121.00709   178.30107
   55    54 S   HO   _H10    73     0.97622   108.54495   -11.58847
   56    49 S   CA   _C7_    46     1.39635   119.54257     0.70109
   57    51 S   CM   _C16    56     1.33327   120.60646    13.12678
   58    57 S   HC   _H6_    57     1.08399   121.59682   178.51694
   59    51 S   OH   _O38    60     1.38290   119.97881  -167.67425
   60    59 S   HO   _H8_    61     0.97527   107.71845    -3.71441
   61    52 S   CM   _C22    64     1.46655   118.64539    -4.20114
   62    61 S   HC   _H7_    65     1.09356   116.84959  -165.02777
   63    42 S   CA   _C8_    47     1.39908   120.88314   -26.72360
   64    43 S   CO4  _C15    58     1.51089   116.60102   -66.64601
   65    64 S   O    _O39    59     1.22705   122.90545     1.17203
   66    61 S   CMA  _C21    66     1.34869   126.73869    15.02165
   67    66 S   OM   _O37    67     1.26293   130.14922   178.76838
   68    56 S   OH   _O41    70     1.37006   115.60654   179.73905
   69    68 S   HO   _H9_    71     0.97412   108.74144   178.13334
   70    63 S   CO4  _C13    48     1.48816   120.28482    -2.43622
   71    70 S   O    _O34    49     1.23121   119.01683  -170.01479
   72    46 S   CO4  _C20    68     1.50484   121.51700     9.63700
   73    72 S   O    _O35    69     1.22961   121.87024    35.58312
  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   7   2   1   1  11   4  13   6  10  14   9   4  14   7  13
   8   4  10   8   3   2   1   5   5   3   2   1   5   3   4   3
   1   3   2   2   1   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    70    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    63    70    71    40    41    43    46    64  
   38    39    42    70    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    47    56    63    70    40    41    43  
   42    44    63    40  
   41    43    46    48    57    64    65    72    42    56    63    70    71  
   43    46    64    63    70    71  
   44    45    47    49    56    63    70    71    68    54  
   46    48    51    57    58    64    65    52    66    72    73    63    70    71  
   45    47    49    50    56    63    70    54    55  
   47    49    63    54  
   48    51    57    64    65    59    52    53    61    66    67    72    73    70  
   49    50    56    63    68    54    55  
   51    57    58    64    59    60    52    53    61    62    66    72    73  
   50    56    63    70    68    69    54    55  
   56    63    68    54  
   57    58    64    65    59    60    52    53    61    72  
   53    61    62    66    67    72    57    59  
   61    62    66  
   55    56  
    0  
   63    70    71    68    69  
   58    64    65    59    60  
   64    65    59  
   60    64  
    0  
   62    66    67    72    73  
   66    67    72  
   70    71    68    69  
   65    72    70  
    0  
   67    72    73  
   72    73  
   69    70  
    0  
   71  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    44   469.000  1.400
   42    63   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    49   469.000  1.400
   47    54   450.000  1.364
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    63   469.000  1.400
   56    68   450.000  1.364
   63    70   310.000  1.470
   70    71   570.000  1.229
   70    40   317.000  1.522
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   549.000  1.340
   43    64   320.000  1.462
   46    48   380.000  1.444
   46    72   320.000  1.462
   48    51   380.000  1.444
   48    52   465.000  1.376
   51    57   549.000  1.340
   51    59   510.000  1.338
   57    58   340.000  1.080
   57    64   320.000  1.462
   64    65   570.000  1.229
   59    60   553.000  0.945
   52    53   745.000  1.250
   52    61   465.000  1.376
   61    62   340.000  1.080
   61    66   465.000  1.376
   66    67   745.000  1.250
   66    72   270.000  1.476
   72    73   570.000  1.229
   68    69   553.000  0.945
   54    55   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    70    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    60.00000  119.52600
   38    42    63    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    44    45    35.00000  120.00000
   42    44    47    63.00000  120.00000
   42    63    56    63.00000  120.00000
   42    63    70    60.00000  119.52600
   44    47    49    63.00000  120.00000
   44    47    54    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    56    63.00000  120.00000
   47    54    55    35.00000  113.00000
   49    56    63    63.00000  120.00000
   49    56    68    70.00000  120.00000
   56    49    50    35.00000  120.00000
   56    63    70    60.00000  119.52600
   56    68    69    35.00000  113.00000
   63    42    44    63.00000  120.00000
   63    70    71    75.00000  123.78400
   63    70    40    65.00000  115.47100
   70    40    41    35.00000  109.50000
   70    40    43    70.00000  109.06800
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    70    71    80.00000  120.40000
   40    43    46    70.00000  124.00000
   40    43    64    65.00000  116.34900
   43    40    41    35.00000  109.50000
   43    46    48    70.00000  123.01800
   43    46    72    65.00000  118.96000
   43    64    57    65.00000  118.65900
   43    64    65    80.00000  123.72100
   46    48    51    70.00000  123.01800
   46    48    52    70.00000  117.34000
   46    72    66    65.00000  118.65900
   46    72    73    80.00000  123.72100
   48    51    57    70.00000  123.01800
   48    51    59    80.00000  121.38400
   48    52    53    65.00000  137.10300
   48    52    61    70.00000  123.01800
   51    57    58    35.00000  120.00000
   51    57    64    65.00000  118.96000
   51    59    60    70.00000  107.45700
   57    64    65    80.00000  123.72100
   64    43    46    65.00000  118.96000
   64    57    58    40.00000  117.72500
   59    51    57    80.00000  121.38400
   52    48    51    70.00000  117.34000
   52    61    62    40.00000  120.50800
   52    61    66    70.00000  117.34000
   61    52    53    65.00000  137.10300
   61    66    67    65.00000  137.10300
   61    66    72    65.00000  114.61000
   66    61    62    40.00000  120.50800
   66    72    73    80.00000  120.81000
   72    46    48    65.00000  118.96000
   72    66    67    85.00000  116.28000
   68    56    63    70.00000  120.00000
   54    47    49    70.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    70   0.56750  1.0 1.0
   29    33    40    70  -0.07550 -1.0 2.0
   29    33    40    70   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44   2.26350  1.0 1.0
   33    38    42    44   0.76750 -1.0 2.0
   33    38    42    44   0.22500  1.0 3.0
   33    38    42    63   2.26350  1.0 1.0
   33    38    42    63   0.76750 -1.0 2.0
   33    38    42    63   0.22500  1.0 3.0
   33    40    43    46   0.09850  1.0 1.0
   33    40    43    46   0.15250 -1.0 2.0
   33    40    43    46  -0.50650  1.0 3.0
   33    40    43    64   0.09700  1.0 1.0
   33    40    43    64   0.15600 -1.0 2.0
   33    40    43    64  -0.50800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    70  -0.09450  1.0 1.0
   34    33    40    70  -1.12950 -1.0 2.0
   34    33    40    70   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    70   0.11950  1.0 1.0
   38    33    40    70   0.20300 -1.0 2.0
   38    33    40    70  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    47   3.62500 -1.0 2.0
   38    42    63    56   3.62500 -1.0 2.0
   38    42   -63    70   3.62500 -1.0 2.0
   39    38    42    44   1.05000 -1.0 2.0
   39    38    42    63   1.05000 -1.0 2.0
   42    44    47    49   3.62500 -1.0 2.0
   42    44    47    54   3.62500 -1.0 2.0
   42    63    70    71   1.05000 -1.0 2.0
   42    63    70    40   2.26350  1.0 1.0
   42    63    70    40   0.76750 -1.0 2.0
   42    63    70    40   0.22500  1.0 3.0
   44    42    63    56   3.62500 -1.0 2.0
   44    42    63    70   3.62500 -1.0 2.0
   44    47    49    50   3.62500 -1.0 2.0
   44    47   -49    56   3.62500 -1.0 2.0
   44    47    54    55   0.84100 -1.0 2.0
   45    44    47    49   3.62500 -1.0 2.0
   45    44    47    54   3.62500 -1.0 2.0
   47    49    56    63   3.62500 -1.0 2.0
   47    49    56    68   3.62500 -1.0 2.0
   49    47    54    55   0.84100 -1.0 2.0
   49    56   -63    42   3.62500 -1.0 2.0
   49    56    63    70   3.62500 -1.0 2.0
   49    56    68    69   0.84100 -1.0 2.0
   50    49    56    63   3.62500 -1.0 2.0
   50    49    56    68   3.62500 -1.0 2.0
   56    63    70    71   1.05000 -1.0 2.0
   56    63    70    40   2.26350  1.0 1.0
   56    63    70    40   0.76750 -1.0 2.0
   56    63    70    40   0.22500  1.0 3.0
   63    42    44    45   3.62500 -1.0 2.0
   63    42   -44    47   3.62500 -1.0 2.0
   63    56    68    69   0.84100 -1.0 2.0
   63    70   -40    33   0.05850 -1.0 2.0
   63    70   -40    33   0.17250  1.0 3.0
   63    70    40    41   0.00000  1.0 1.0
   63    70    40    43   0.65300  1.0 1.0
   63    70    40    43  -0.03850 -1.0 2.0
   63    70    40    43   0.33900  1.0 3.0
   70    40    43    46  -0.51250  1.0 1.0
   70    40    43    46  -0.88800 -1.0 2.0
   70    40    43    46   0.08850  1.0 3.0
   70    40    43    64   0.09700  1.0 1.0
   70    40    43    64   0.15600 -1.0 2.0
   70    40    43    64  -0.50800  1.0 3.0
   71    70    40    33   0.30150 -1.0 2.0
   71    70    40    41   0.00000  1.0 1.0
   71    70    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    46    48   7.00000 -1.0 2.0
   40    43    46    72   7.00000 -1.0 2.0
   40    43    64    57   1.50000 -1.0 2.0
   40    43    64    65  -0.64400  1.0 1.0
   40    43    64    65   0.26850 -1.0 2.0
   41    40    43    46   0.00000  1.0 1.0
   41    40    43    64   0.15000  1.0 3.0
   43    46    48    51   0.28850  1.0 1.0
   43    46    48    51   2.61350 -1.0 2.0
   43    46    48    51   0.78400  1.0 3.0
   43    46    48    52   0.28850  1.0 1.0
   43    46    48    52   2.61350 -1.0 2.0
   43    46    48    52   0.78400  1.0 3.0
   43    46    72    66  -1.18350  1.0 1.0
   43    46    72    66   1.45950 -1.0 2.0
   43    46    72    73   1.00000 -1.0 2.0
   46    43    64    57  -1.18350  1.0 1.0
   46    43    64    57   1.45950 -1.0 2.0
   46    43    64    65   1.00000 -1.0 2.0
   46    48   -51    57   0.28850  1.0 1.0
   46    48   -51    57   2.61350 -1.0 2.0
   46    48   -51    57   0.78400  1.0 3.0
   46    48    51    59   0.50950  1.0 1.0
   46    48    51    59   0.56650 -1.0 2.0
   46    48    51    59   0.34050  1.0 3.0
   46    48    52    53   7.00000 -1.0 2.0
   46    48    52    61   7.00000 -1.0 2.0
   48    46    72    66  -1.18350  1.0 1.0
   48    46    72    66   1.45950 -1.0 2.0
   48    46    72    73   1.00000 -1.0 2.0
   48    51    57    58   7.00000 -1.0 2.0
   48    51    57    64   7.00000 -1.0 2.0
   48    51    59    60  -0.66100  1.0 1.0
   48    51    59    60   1.20850 -1.0 2.0
   48    51    59    60  -0.36000  1.0 3.0
   48    52    61    62   7.00000 -1.0 2.0
   48    52   -61    66   7.00000 -1.0 2.0
   51    48    52    53   7.00000 -1.0 2.0
   51    48    52    61   7.00000 -1.0 2.0
   51    57   -64    43  -1.18350  1.0 1.0
   51    57   -64    43   1.45950 -1.0 2.0
   51    57    64    65   1.00000 -1.0 2.0
   57    51    59    60  -0.66100  1.0 1.0
   57    51    59    60   1.20850 -1.0 2.0
   57    51    59    60  -0.36000  1.0 3.0
   58    57    64    43   0.93700 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   64    43   -46    48   7.00000 -1.0 2.0
   64    43    46    72   7.00000 -1.0 2.0
   59    51    57    58   7.00000 -1.0 2.0
   59    51    57    64   7.00000 -1.0 2.0
   52    48    51    57   0.28850  1.0 1.0
   52    48    51    57   2.61350 -1.0 2.0
   52    48    51    57   0.78400  1.0 3.0
   52    48    51    59   0.50950  1.0 1.0
   52    48    51    59   0.56650 -1.0 2.0
   52    48    51    59   0.34050  1.0 3.0
   52    61    66    67   7.00000 -1.0 2.0
   52    61    66    72   7.00000 -1.0 2.0
   53    52    61    62   7.00000 -1.0 2.0
   53    52    61    66   7.00000 -1.0 2.0
   61    66   -72    46  -1.18350  1.0 1.0
   61    66   -72    46   1.45950 -1.0 2.0
   61    66    72    73   1.00000 -1.0 2.0
   62    61    66    67   7.00000 -1.0 2.0
   62    61    66    72   7.00000 -1.0 2.0
   67    66    72    46   1.50000 -1.0 2.0
   67    66    72    73  -0.11900  1.0 1.0
   67    66    72    73   0.76850 -1.0 2.0
   67    66    72    73   0.14100  1.0 3.0
   72    46    48    51  -0.18600  1.0 3.0
   72    46   -48    52  -0.18600  1.0 3.0
   68    56    63    42   3.62500 -1.0 2.0
   68    56    63    70   3.62500 -1.0 2.0
   54    47    49    50   3.62500 -1.0 2.0
   54    47    49    56   3.62500 -1.0 2.0
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    42    38    39  10.50000 -1.0 2.0
   44    63    42    38   4.00000 -1.0 2.0
   47    45    44    42   1.10000 -1.0 2.0
   49    54    47    44   4.00000 -1.0 2.0
   56    50    49    47   1.10000 -1.0 2.0
   63    68    56    49   4.00000 -1.0 2.0
   56    70    63    42   4.00000 -1.0 2.0
   63    40    70    71  10.50000 -1.0 2.0
   40    64    43    46   1.10000 -1.0 2.0
   48    72    46    43   1.10000 -1.0 2.0
   46    51    48    52   1.10000 -1.0 2.0
   48    59    51    57   1.10000 -1.0 2.0
   64    58    57    51   1.10000 -1.0 2.0
   43    57    64    65  10.50000 -1.0 2.0
   61    53    52    48   1.10000 -1.0 2.0
   52    62    61    66   1.10000 -1.0 2.0
   72    67    66    61   1.10000 -1.0 2.0
   46    66    72    73  10.50000 -1.0 2.0
END
