* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    129    219     388
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02035   106.65758   -13.48739
    3     1 S   H    _H1_     3     1.02080    55.54342    88.10239
    4     1 S   H    _H2_     4     1.02150    56.54923  -115.22562
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C12    36     1.84238    97.53397  -178.16070
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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  _C13    37     1.53373   105.81767    60.00538
   38    37 S   O    _O33    38     1.23128   122.05807    66.80531
   39    33 S   CM   _C14    57     1.50372   109.43621   174.40192
   40    37 S   CA   _C8_    39     1.48396   118.94061  -112.08499
   41    39 S   CO4  _C23    58     1.49296   113.53847   156.00474
   42    41 S   O    _O35    59     1.22555   120.29932    -0.13988
   43    40 S   CA   _C9_    40     1.40091   120.34947    -4.96416
   44    41 S   CA   _C22    60     1.46595   118.24703   179.84934
   45    43 S   CA   _C4_    41     1.40683   117.97106   180.00000
   46    45 S   HA   _H3_    42     1.08814   120.69087  -179.94065
   47    43 S   CM   _C10    51     1.47231   121.01864    -0.36904
   48    44 S   CA   _C17    61     1.38774   120.13199     0.18131
   49    45 S   CA   _C5_    43     1.39704   121.19639    -0.02798
   50    33 S   CM   _C11    52     1.50789   108.71750   -63.67516
   51    47 S   OH   _O40    55     1.37911   115.15676  -177.89801
   52    51 S   HO   _H9_    56     0.96238   109.91221  -179.96044
   53    48 S   CA   _C18    62     1.40192   119.62639   180.00000
   54    53 S   HA   _H5_    63     1.08986   119.94328  -180.00000
   55    48 S   CO4  _C16    71     1.47426   120.75863    -0.00000
   56    55 S   O    _O34    72     1.23078   118.50288   179.80317
   57    49 S   CA   _C6_    44     1.38986   120.05705     0.09891
   58    57 S   HA   _H4_    45     1.08663   120.01272   179.97202
   59    49 S   OH   _O42    49     1.36169   119.94464  -179.93147
   60    59 S   HO   _H11    50     0.96991   110.27786     0.05234
   61    50 S   OH   _O39    53     1.38683   113.83216   -68.39081
   62    61 S   HO   _H8_    54     0.95910   109.36608  -179.18315
   63    53 S   CA   _C19    64     1.39563   120.24753     0.00000
   64    63 S   OM   _O37    65     1.28068   120.03848   180.00000
   65    39 S   CMA  _C15    73     1.35383   122.75618   -23.96223
   66    65 S   OM   _O38    74     1.26449   129.54949    -0.00000
   67    40 S   CA   _C7_    46     1.40358   118.79908   175.12637
   68    63 S   CA   _C20    66     1.39224   119.97929     0.00000
   69    68 S   HA   _H6_    67     1.08945   121.01845   179.95154
   70    67 S   OH   _O41    47     1.36340   123.06994    -0.36369
   71    70 S   HO   _H10    48     0.96965   110.17971     0.40974
   72    44 S   CA   _C21    68     1.40105   119.71801  -179.78786
   73    72 S   OH   _O36    69     1.36419   122.83262    -0.00000
   74    73 S   HO   _H7_    70     0.96896   110.12579    -0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  13   5  13  12  11   4  12  12  10   4   7  11
   6   5   2   1   9   4   5   2   6   3   2   1   1   1   5   3
   1   1   2   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    50    61    39    41    65  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    67    47    50    61    62    51    39    41    42    44    55    65    66  
   35    36  
   36  
    0  
   38    40    43    45    57    67    70    47    50    61    39    41    65  
   40    43    67    50    39  
   41    42    44    48    72    55    56    65    66    40    47    50    61  
   43    45    46    49    57    58    67    70    71    47    50    51  
   42    44    48    53    68    72    73    55    65    66    50  
   44    48    72    65  
   45    46    49    57    67    70    59    47    50    61    51    52  
   48    53    54    63    68    69    72    73    74    55    56    65  
   46    49    57    58    67    59    60    47    50    51  
   49    57    59    47  
   50    61    62    51    52    49    67  
   53    54    63    64    68    72    73    55    56    65    66  
   57    58    67    70    59    60  
   61    62    51    52    65  
   52    61  
    0  
   54    63    64    68    69    72    55    56    65  
   63    64    68    55  
   56    65    66    63    72  
   65    66  
   58    67    70    71    59    60  
   67    70    59  
   60    67  
    0  
   62  
    0  
   64    68    69    72    73  
   68    69    72  
   66  
    0  
   70    71  
   69    72    73    74  
   72    73  
   71  
    0  
   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   0.167500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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    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    50   317.000  1.510
   33    39   317.000  1.510
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    67   469.000  1.400
   43    45   469.000  1.400
   43    47   320.000  1.460
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    57   469.000  1.400
   49    59   450.000  1.364
   57    58   367.000  1.080
   57    67   469.000  1.400
   67    70   450.000  1.364
   70    71   553.000  0.945
   59    60   553.000  0.945
   47    50   549.000  1.340
   47    51   510.000  1.338
   50    61   510.000  1.338
   61    62   553.000  0.945
   51    52   553.000  0.945
   39    41   320.000  1.462
   39    65   465.000  1.376
   41    42   570.000  1.229
   41    44   310.000  1.470
   44    48   469.000  1.400
   44    72   469.000  1.400
   48    53   469.000  1.400
   48    55   310.000  1.470
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    64   450.000  1.364
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   55    56   570.000  1.229
   55    65   270.000  1.476
   65    66   745.000  1.250
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    50    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    50    47    70.00000  124.00000
   33    50    61    90.00000  109.34000
   33    39    41    65.00000  116.34900
   33    39    65    70.00000  124.00000
   37    40    43    60.00000  119.52600
   37    40    67    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  120.93500
   40    67    57    63.00000  120.00000
   40    67    70    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    49    63.00000  120.00000
   43    47    50    60.00000  123.20500
   43    47    51    85.00000  114.86500
   45    49    57    63.00000  120.00000
   45    49    59    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    57    58    35.00000  120.00000
   49    57    67    63.00000  120.00000
   49    59    60    35.00000  113.00000
   57    67    70    70.00000  120.00000
   67    40    43    63.00000  120.00000
   67    57    58    35.00000  120.00000
   67    70    71    35.00000  113.00000
   59    49    57    70.00000  120.00000
   47    43    45    60.00000  120.93500
   47    50    61    80.00000  121.38400
   47    51    52    70.00000  107.45700
   50    33    37    70.00000  109.06800
   50    61    62    70.00000  107.45700
   51    47    50    80.00000  121.38400
   39    33    37    70.00000  109.06800
   39    33    50    70.00000  110.12100
   39    41    42    80.00000  123.72100
   39    41    44    65.00000  117.02400
   39    65    55    65.00000  114.61000
   39    65    66    65.00000  137.10300
   41    44    48    60.00000  119.52600
   41    44    72    60.00000  119.52600
   44    41    42    75.00000  123.78400
   44    48    53    63.00000  120.00000
   44    48    55    60.00000  119.52600
   44    72    68    63.00000  120.00000
   44    72    73    70.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    63    63.00000  120.00000
   48    55    56    75.00000  123.78400
   48    55    65    60.00000  117.44000
   53    63    64    70.00000  120.00000
   53    63    68    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    72    63.00000  120.00000
   68    63    64    70.00000  120.00000
   68    72    73    70.00000  120.00000
   72    44    48    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    73    74    35.00000  113.00000
   55    48    53    60.00000  119.52600
   55    65    66    85.00000  116.28000
   65    39    41    60.00000  125.92000
   65    55    56    80.00000  120.81000
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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  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
   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    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    50    47   0.42700  1.0 1.0
   29    33    50    47  -0.70350 -1.0 2.0
   29    33    50    47  -0.43150  1.0 3.0
   29    33    50    61   0.09700  1.0 1.0
   29    33    50    61   0.15600 -1.0 2.0
   29    33    50    61  -0.50800  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  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
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    67   2.26350  1.0 1.0
   33    37    40    67   0.76750 -1.0 2.0
   33    37    40    67   0.22500  1.0 3.0
   33    50    61    62   2.00000 -1.0 2.0
   33    39    41    42  -0.64400  1.0 1.0
   33    39    41    42   0.26850 -1.0 2.0
   33    39    41    44   1.50000 -1.0 2.0
   33    39    65    55   7.00000 -1.0 2.0
   33    39    65    66   7.00000 -1.0 2.0
   37    33    50    47  -0.51250  1.0 1.0
   37    33    50    47  -0.88800 -1.0 2.0
   37    33    50    47   0.08850  1.0 3.0
   37    33    50    61   0.09700  1.0 1.0
   37    33    50    61   0.15600 -1.0 2.0
   37    33    50    61  -0.50800  1.0 3.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  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    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    67    57   3.62500 -1.0 2.0
   37    40    67    70   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    67   1.05000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    49   3.62500 -1.0 2.0
   40    43    47    50   0.15800  1.0 1.0
   40    43    47    50   1.85350 -1.0 2.0
   40    43    47    50  -0.48700  1.0 3.0
   40    43    47    51  -0.01750  1.0 1.0
   40    43    47    51  -0.32000 -1.0 2.0
   40    43    47    51   0.00600  1.0 3.0
   40    67    70    71   0.84100 -1.0 2.0
   43    40    67    57   3.62500 -1.0 2.0
   43    40    67    70   3.62500 -1.0 2.0
   43    45   -49    57   3.62500 -1.0 2.0
   43    45    49    59   3.62500 -1.0 2.0
   43    47   -50    33   7.00000 -1.0 2.0
   43    47    50    61   7.00000 -1.0 2.0
   43    47    51    52   2.00000 -1.0 2.0
   45    43    47    50   0.15800  1.0 1.0
   45    43    47    50   1.85350 -1.0 2.0
   45    43    47    50  -0.48700  1.0 3.0
   45    43    47    51  -0.01750  1.0 1.0
   45    43    47    51  -0.32000 -1.0 2.0
   45    43    47    51   0.00600  1.0 3.0
   45    49    57    58   3.62500 -1.0 2.0
   45    49    57    67   3.62500 -1.0 2.0
   45    49    59    60   0.84100 -1.0 2.0
   46    45    49    57   3.62500 -1.0 2.0
   46    45    49    59   3.62500 -1.0 2.0
   49    57   -67    40   3.62500 -1.0 2.0
   49    57    67    70   3.62500 -1.0 2.0
   57    49    59    60   0.84100 -1.0 2.0
   57    67    70    71   0.84100 -1.0 2.0
   58    57    67    40   3.62500 -1.0 2.0
   58    57    67    70   3.62500 -1.0 2.0
   67    40   -43    45   3.62500 -1.0 2.0
   67    40    43    47   3.62500 -1.0 2.0
   59    49    57    58   3.62500 -1.0 2.0
   59    49    57    67   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    49   3.62500 -1.0 2.0
   47    50    61    62  -0.66100  1.0 1.0
   47    50    61    62   1.20850 -1.0 2.0
   47    50    61    62  -0.36000  1.0 3.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    40   0.65300  1.0 1.0
   50    33   -37    40  -0.03850 -1.0 2.0
   50    33   -37    40   0.33900  1.0 3.0
   50    33    39    41   0.09700  1.0 1.0
   50    33    39    41   0.15600 -1.0 2.0
   50    33    39    41  -0.50800  1.0 3.0
   50    33    39    65  -0.28300  1.0 1.0
   50    33    39    65   0.26700 -1.0 2.0
   50    33    39    65  -0.63300  1.0 3.0
   50    47    51    52  -0.66100  1.0 1.0
   50    47    51    52   1.20850 -1.0 2.0
   50    47    51    52  -0.36000  1.0 3.0
   51    47    50    33   7.00000 -1.0 2.0
   51    47    50    61   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    50    47  -0.28300  1.0 1.0
   39    33    50    47   0.26700 -1.0 2.0
   39    33    50    47  -0.63300  1.0 3.0
   39    33    50    61   0.09700  1.0 1.0
   39    33    50    61   0.15600 -1.0 2.0
   39    33    50    61  -0.50800  1.0 3.0
   39    41    44    48  -0.11500  1.0 1.0
   39    41    44    48   1.10450 -1.0 2.0
   39    41    44    48  -0.48050  1.0 3.0
   39    41    44    72  -0.11500  1.0 1.0
   39    41    44    72   1.10450 -1.0 2.0
   39    41    44    72  -0.48050  1.0 3.0
   41    39    65    55   7.00000 -1.0 2.0
   41    39    65    66   7.00000 -1.0 2.0
   41    44    48    53   3.62500 -1.0 2.0
   41    44   -48    55   3.62500 -1.0 2.0
   41    44    72    68   3.62500 -1.0 2.0
   41    44    72    73   3.62500 -1.0 2.0
   42    41    44    48   1.05000 -1.0 2.0
   42    41    44    72   1.05000 -1.0 2.0
   44    48    53    54   3.62500 -1.0 2.0
   44    48    53    63   3.62500 -1.0 2.0
   44    48    55    56   1.05000 -1.0 2.0
   44    48    55    65  -0.11500  1.0 1.0
   44    48    55    65   1.10450 -1.0 2.0
   44    48    55    65  -0.48050  1.0 3.0
   44    72    73    74   0.84100 -1.0 2.0
   48    44    72    68   3.62500 -1.0 2.0
   48    44    72    73   3.62500 -1.0 2.0
   48    53    63    64   3.62500 -1.0 2.0
   48    53   -63    68   3.62500 -1.0 2.0
   48    55   -65    39  -1.65800  1.0 1.0
   48    55   -65    39   0.77650 -1.0 2.0
   48    55    65    66   1.50000 -1.0 2.0
   53    48    55    56   1.05000 -1.0 2.0
   53    48    55    65  -0.11500  1.0 1.0
   53    48    55    65   1.10450 -1.0 2.0
   53    48    55    65  -0.48050  1.0 3.0
   53    63    68    69   3.62500 -1.0 2.0
   53    63    68    72   3.62500 -1.0 2.0
   54    53    63    64   3.62500 -1.0 2.0
   54    53    63    68   3.62500 -1.0 2.0
   63    68   -72    44   3.62500 -1.0 2.0
   63    68    72    73   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    72   3.62500 -1.0 2.0
   68    72    73    74   0.84100 -1.0 2.0
   69    68    72    44   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   72    44   -48    53   3.62500 -1.0 2.0
   72    44    48    55   3.62500 -1.0 2.0
   55    48    53    54   3.62500 -1.0 2.0
   55    48    53    63   3.62500 -1.0 2.0
   56    55    65    39   1.00000 -1.0 2.0
   56    55    65    66  -0.11900  1.0 1.0
   56    55    65    66   0.76850 -1.0 2.0
   56    55    65    66   0.14100  1.0 3.0
   65    39    41    42   1.00000 -1.0 2.0
   65    39   -41    44  -1.65800  1.0 1.0
   65    39   -41    44   0.77650 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    67    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   57    59    49    45   4.00000 -1.0 2.0
   67    58    57    49   1.10000 -1.0 2.0
   57    70    67    40   4.00000 -1.0 2.0
   43    51    47    50   1.10000 -1.0 2.0
   33    61    50    47   1.10000 -1.0 2.0
   33    41    39    65   1.10000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   48    72    44    41   4.00000 -1.0 2.0
   53    55    48    44   4.00000 -1.0 2.0
   63    54    53    48   1.10000 -1.0 2.0
   68    64    63    53   4.00000 -1.0 2.0
   72    69    68    63   1.10000 -1.0 2.0
   68    73    72    44   4.00000 -1.0 2.0
   48    65    55    56  10.50000 -1.0 2.0
   55    66    65    39   1.10000 -1.0 2.0
END
