* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    129    217     386
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120    33.66067  -178.14407
    3     1 S   H    _H1_     3     1.02080    94.69971   -60.99715
    4     1 S   H    _H2_     4     1.02065    85.47136    47.45976
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.82482    98.15154  -178.24598
   34    33 S   HC   _H3_    37     1.09758   108.63858  -175.41294
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C23    38     1.51903   107.47744   -59.96701
   39    38 S   O    _O35    39     1.23061   121.20836   -63.90739
   40    38 S   CA   _C18    40     1.48652   119.15173   115.66986
   41    40 S   CA   _C19    41     1.40646   120.59855     4.61864
   42    41 S   CA   _C14    42     1.40661   117.48331   178.37719
   43    41 S   CM   _C20    69     1.47639   120.00434    -0.15949
   44    42 S   CA   _C15    43     1.39830   121.34897     1.10305
   45    42 S   CM   _C12    51     1.46564   123.33174  -180.00000
   46    33 S   CM   _C21    70     1.49789   109.97593    65.35163
   47    43 S   OH   _O37    73     1.38342   119.52850   178.15857
   48    47 S   HO   _H8_    74     0.96265   109.86916   180.00000
   49    44 S   CA   _C16    44     1.38968   120.21410    -0.49772
   50    49 S   HA   _H6_    45     1.08623   120.15504   179.07359
   51    44 S   OH   _O39    49     1.36593   121.69406   179.45142
   52    51 S   HO   _H10    50     0.96849   110.02490  -179.95154
   53    45 S   CO4  _C13    52     1.49252   117.53410    89.99926
   54    53 S   O    _O34    53     1.22684   119.93961    -0.04846
   55    46 S   OH   _O36    71     1.38675   115.85137    65.25384
   56    55 S   HO   _H7_    72     0.96046   109.50687    -1.04717
   57    40 S   CA   _C17    46     1.40286   118.27727  -175.96187
   58    53 S   CA   _C8_    54     1.46487   118.30422   179.94766
   59    57 S   OH   _O38    47     1.36466   122.84671     1.99213
   60    59 S   HO   _H9_    48     0.97035   110.09828    -1.02469
   61    58 S   CA   _C9_    55     1.38797   120.07998     0.05935
   62    61 S   CA   _C4_    56     1.40240   119.58721   180.00000
   63    62 S   HA   _H4_    57     1.09074   119.91488   180.00000
   64    61 S   CO4  _C10    65     1.47488   120.85237    -0.04846
   65    64 S   O    _O33    66     1.22997   118.53142   179.93744
   66    62 S   CA   _C5_    58     1.39513   120.25163    -0.01978
   67    66 S   OM   _O42    59     1.28204   120.00907   179.93147
   68    45 S   CMA  _C11    67     1.35766   118.65667   -90.02499
   69    68 S   OM   _O40    68     1.26556   129.70555     0.05595
   70    66 S   CA   _C6_    60     1.39143   120.01497    -0.03956
   71    70 S   HA   _H5_    61     1.08941   121.06721   179.96044
   72    58 S   CA   _C7_    62     1.40142   119.74023  -180.00000
   73    72 S   OH   _O41    63     1.36336   122.81139     0.02798
   74    73 S   HO   _H11    64     0.96941   110.10790    -0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  11   6   2   1   1  10   4  12  14  16   8   9  11   4   2   1
   6   3   2   1  10   4   1   1   2  12   1   1  11   9   4   5
   2   5   3   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    57    43    46    55    56    47  
   38    39    40    43    46    55  
   36    37  
   37  
    0  
   39    40    41    42    49    57    59    43    46    55  
   40    41    57    46  
   41    42    44    49    50    57    59    60    45    43    46    47  
   42    44    49    57    59    51    45    53    68    43    46    55    47    48  
   44    49    50    57    51    52    45    53    54    58    64    68    69    43    46    47  
   46    55    56    47    48    44    45    57  
   49    50    57    59    51    52    45    53    68  
   53    54    58    61    72    64    65    68    69    49    51  
   55    56    47    48  
   48    55  
    0  
   50    57    59    60    51    52  
   57    59    51  
   52    57  
    0  
   54    58    61    62    70    72    73    64    68    69  
   58    61    72    68  
   56  
    0  
   59    60  
   61    62    63    66    70    71    72    73    74    64    65    68  
   60  
    0  
   62    63    66    67    70    72    73    64    65    68    69  
   63    66    67    70    71    72    64    65    68  
   66    67    70    64  
   65    68    69    66    72  
   68    69  
   67    70    71    72    73  
   70    71    72  
   69  
    0  
   71    72    73    74  
   72    73  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   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   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    46   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    57   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    44   469.000  1.400
   42    45   320.000  1.460
   44    49   469.000  1.400
   44    51   450.000  1.364
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    59   450.000  1.364
   59    60   553.000  0.945
   51    52   553.000  0.945
   45    53   320.000  1.462
   45    68   465.000  1.376
   53    54   570.000  1.229
   53    58   310.000  1.470
   58    61   469.000  1.400
   58    72   469.000  1.400
   61    62   469.000  1.400
   61    64   310.000  1.470
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   450.000  1.364
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   64    65   570.000  1.229
   64    68   270.000  1.476
   68    69   745.000  1.250
   43    46   549.000  1.340
   43    47   510.000  1.338
   46    55   510.000  1.338
   55    56   553.000  0.945
   47    48   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  110.18000
   29    33    46    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    46    43    70.00000  124.00000
   33    46    55    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    57    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    57    49    63.00000  120.00000
   40    57    59    70.00000  120.00000
   41    42    44    63.00000  120.00000
   41    42    45    60.00000  118.70000
   41    43    46    60.00000  123.20500
   41    43    47    85.00000  114.86500
   42    44    49    63.00000  120.00000
   42    44    51    70.00000  120.00000
   42    45    53    60.00000  124.00000
   42    45    68    60.00000  123.66000
   44    49    50    35.00000  120.00000
   44    49    57    63.00000  120.00000
   44    51    52    35.00000  113.00000
   49    57    59    70.00000  120.00000
   57    40    41    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    59    60    35.00000  113.00000
   51    44    49    70.00000  120.00000
   45    42    44    60.00000  118.70000
   45    53    54    80.00000  123.72100
   45    53    58    65.00000  117.02400
   45    68    64    65.00000  114.61000
   45    68    69    65.00000  137.10300
   53    58    61    60.00000  119.52600
   53    58    72    60.00000  119.52600
   58    53    54    75.00000  123.78400
   58    61    62    63.00000  120.00000
   58    61    64    60.00000  119.52600
   58    72    70    63.00000  120.00000
   58    72    73    70.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    75.00000  123.78400
   61    64    68    60.00000  117.44000
   62    66    67    70.00000  120.00000
   62    66    70    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    72    63.00000  120.00000
   70    66    67    70.00000  120.00000
   70    72    73    70.00000  120.00000
   72    58    61    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  113.00000
   64    61    62    60.00000  119.52600
   64    68    69    85.00000  116.28000
   68    45    53    60.00000  125.92000
   68    64    65    80.00000  120.81000
   43    41    42    60.00000  120.93500
   43    46    55    80.00000  121.38400
   43    47    48    70.00000  107.45700
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  109.06800
   46    55    56    70.00000  107.45700
   47    43    46    80.00000  121.38400
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    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    46    43   0.42700  1.0 1.0
   29    33    46    43  -0.70350 -1.0 2.0
   29    33    46    43  -0.43150  1.0 3.0
   29    33    46    55   0.09700  1.0 1.0
   29    33    46    55   0.15600 -1.0 2.0
   29    33    46    55  -0.50800  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    57   2.26350  1.0 1.0
   33    38    40    57   0.76750 -1.0 2.0
   33    38    40    57   0.22500  1.0 3.0
   33    46    55    56   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    43   0.00000  1.0 1.0
   34    33    46    55   0.00000  1.0 1.0
   38    33    46    43  -0.51250  1.0 1.0
   38    33    46    43  -0.88800 -1.0 2.0
   38    33    46    43   0.08850  1.0 3.0
   38    33    46    55   0.09700  1.0 1.0
   38    33    46    55   0.15600 -1.0 2.0
   38    33    46    55  -0.50800  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    57    49   3.62500 -1.0 2.0
   38    40    57    59   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    57   1.05000 -1.0 2.0
   40    41    42    44   3.62500 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    43    46   0.15800  1.0 1.0
   40    41    43    46   1.85350 -1.0 2.0
   40    41    43    46  -0.48700  1.0 3.0
   40    41    43    47  -0.01750  1.0 1.0
   40    41    43    47  -0.32000 -1.0 2.0
   40    41    43    47   0.00600  1.0 3.0
   40    57    59    60   0.84100 -1.0 2.0
   41    40    57    49   3.62500 -1.0 2.0
   41    40    57    59   3.62500 -1.0 2.0
   41    42   -44    49   3.62500 -1.0 2.0
   41    42    44    51   3.62500 -1.0 2.0
   41    42    45    53  -0.01750  1.0 1.0
   41    42    45    53  -0.32000 -1.0 2.0
   41    42    45    53   0.00600  1.0 3.0
   41    42    45    68   0.15800  1.0 1.0
   41    42    45    68   1.85350 -1.0 2.0
   41    42    45    68  -0.48700  1.0 3.0
   41    43   -46    33   7.00000 -1.0 2.0
   41    43    46    55   7.00000 -1.0 2.0
   41    43    47    48   2.00000 -1.0 2.0
   42    41    43    46   0.15800  1.0 1.0
   42    41    43    46   1.85350 -1.0 2.0
   42    41    43    46  -0.48700  1.0 3.0
   42    41    43    47  -0.01750  1.0 1.0
   42    41    43    47  -0.32000 -1.0 2.0
   42    41    43    47   0.00600  1.0 3.0
   42    44    49    50   3.62500 -1.0 2.0
   42    44    49    57   3.62500 -1.0 2.0
   42    44    51    52   0.84100 -1.0 2.0
   42    45    53    54  -0.52200  1.0 1.0
   42    45    53    54   0.82950 -1.0 2.0
   42    45    53    58   1.50000 -1.0 2.0
   42    45    68    64   7.00000 -1.0 2.0
   42    45    68    69   7.00000 -1.0 2.0
   44    42    45    53  -0.01750  1.0 1.0
   44    42    45    53  -0.32000 -1.0 2.0
   44    42    45    53   0.00600  1.0 3.0
   44    42    45    68   0.15800  1.0 1.0
   44    42    45    68   1.85350 -1.0 2.0
   44    42    45    68  -0.48700  1.0 3.0
   44    49   -57    40   3.62500 -1.0 2.0
   44    49    57    59   3.62500 -1.0 2.0
   49    44    51    52   0.84100 -1.0 2.0
   49    57    59    60   0.84100 -1.0 2.0
   50    49    57    40   3.62500 -1.0 2.0
   50    49    57    59   3.62500 -1.0 2.0
   57    40   -41    42   3.62500 -1.0 2.0
   57    40    41    43   3.62500 -1.0 2.0
   51    44    49    50   3.62500 -1.0 2.0
   51    44    49    57   3.62500 -1.0 2.0
   45    42    44    49   3.62500 -1.0 2.0
   45    42    44    51   3.62500 -1.0 2.0
   45    53    58    61  -0.11500  1.0 1.0
   45    53    58    61   1.10450 -1.0 2.0
   45    53    58    61  -0.48050  1.0 3.0
   45    53    58    72  -0.11500  1.0 1.0
   45    53    58    72   1.10450 -1.0 2.0
   45    53    58    72  -0.48050  1.0 3.0
   53    45    68    64   7.00000 -1.0 2.0
   53    45    68    69   7.00000 -1.0 2.0
   53    58    61    62   3.62500 -1.0 2.0
   53    58   -61    64   3.62500 -1.0 2.0
   53    58    72    70   3.62500 -1.0 2.0
   53    58    72    73   3.62500 -1.0 2.0
   54    53    58    61   1.05000 -1.0 2.0
   54    53    58    72   1.05000 -1.0 2.0
   58    61    62    63   3.62500 -1.0 2.0
   58    61    62    66   3.62500 -1.0 2.0
   58    61    64    65   1.05000 -1.0 2.0
   58    61    64    68  -0.11500  1.0 1.0
   58    61    64    68   1.10450 -1.0 2.0
   58    61    64    68  -0.48050  1.0 3.0
   58    72    73    74   0.84100 -1.0 2.0
   61    58    72    70   3.62500 -1.0 2.0
   61    58    72    73   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   61    62   -66    70   3.62500 -1.0 2.0
   61    64   -68    45  -1.65800  1.0 1.0
   61    64   -68    45   0.77650 -1.0 2.0
   61    64    68    69   1.50000 -1.0 2.0
   62    61    64    65   1.05000 -1.0 2.0
   62    61    64    68  -0.11500  1.0 1.0
   62    61    64    68   1.10450 -1.0 2.0
   62    61    64    68  -0.48050  1.0 3.0
   62    66    70    71   3.62500 -1.0 2.0
   62    66    70    72   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    70   3.62500 -1.0 2.0
   66    70   -72    58   3.62500 -1.0 2.0
   66    70    72    73   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    72    73    74   0.84100 -1.0 2.0
   71    70    72    58   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    58   -61    62   3.62500 -1.0 2.0
   72    58    61    64   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   65    64    68    45   1.00000 -1.0 2.0
   65    64    68    69  -0.11900  1.0 1.0
   65    64    68    69   0.76850 -1.0 2.0
   65    64    68    69   0.14100  1.0 3.0
   68    45    53    54   1.00000 -1.0 2.0
   68    45   -53    58  -1.65800  1.0 1.0
   68    45   -53    58   0.77650 -1.0 2.0
   43    41    42    44   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    46    55    56  -0.66100  1.0 1.0
   43    46    55    56   1.20850 -1.0 2.0
   43    46    55    56  -0.36000  1.0 3.0
   46    33    38    39   0.30150 -1.0 2.0
   46    33   -38    40   0.65300  1.0 1.0
   46    33   -38    40  -0.03850 -1.0 2.0
   46    33   -38    40   0.33900  1.0 3.0
   46    43    47    48  -0.66100  1.0 1.0
   46    43    47    48   1.20850 -1.0 2.0
   46    43    47    48  -0.36000  1.0 3.0
   47    43    46    33   7.00000 -1.0 2.0
   47    43    46    55   7.00000 -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    40    38    39  10.50000 -1.0 2.0
   41    57    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   44    45    42    41   4.00000 -1.0 2.0
   49    51    44    42   4.00000 -1.0 2.0
   57    50    49    44   1.10000 -1.0 2.0
   49    59    57    40   4.00000 -1.0 2.0
   42    53    45    68   1.10000 -1.0 2.0
   45    58    53    54  10.50000 -1.0 2.0
   61    72    58    53   4.00000 -1.0 2.0
   62    64    61    58   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   70    67    66    62   4.00000 -1.0 2.0
   72    71    70    66   1.10000 -1.0 2.0
   70    73    72    58   4.00000 -1.0 2.0
   61    68    64    65  10.50000 -1.0 2.0
   64    69    68    45   1.10000 -1.0 2.0
   41    47    43    46   1.10000 -1.0 2.0
   33    55    46    43   1.10000 -1.0 2.0
END
