* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    135    212     405
    1     0 S   NP   _N1_     1    29.47494    99.25968   -19.36474
    2     1 S   H    _HN1     2     1.02911    56.40207     7.16349
    3     1 S   H    _H1_     3     1.02880    61.16844   147.95095
    4     1 S   H    _H2_     4     1.02798    92.34266  -103.11634
    5     1 S   CT   _CA1     5     1.50184   155.58857    71.79072
    6     5 S   HC   _HA1     6     1.09676   104.92074   125.98944
    7     5 S   CO3  _C1_     7     1.53788   111.37187     7.80021
    8     7 S   O2Z  _O11     8     1.26176   115.67852   -78.69935
    9     7 S   O2Z  _O12     9     1.26384   114.34278    99.44556
   10     5 S   CT   _CB1    10     1.53075   107.24776  -117.78659
   11    10 S   HC   HB11    11     1.09842   108.68793   -53.89110
   12    10 S   HC   HB12    12     1.09774   110.96493    62.48106
   13    10 S   CT   _CG1    13     1.53073   112.45463  -174.86997
   14    13 S   HC   HG11    14     1.09564   110.75531   -74.95808
   15    13 S   HC   HG12    15     1.09365   109.52663    43.92611
   16    13 S   C    _CD1    16     1.51792   112.00946   164.11085
   17    16 S   O    _OE1    17     1.22852   122.94549    12.64124
   18    16 S   N    _N2_    18     1.38588   112.33202  -167.48860
   19    18 S   H    _HN2    19     1.01823   119.09516     2.46124
   20    18 S   CT1  _CA2    20     1.45910   122.48570   174.76075
   21    20 S   HC   _HA2    21     1.09700   110.06625    18.00633
   22    20 S   C    _C2_    22     1.52837   104.75676   -98.60868
   23    22 S   O    _O2_    23     1.22935   122.68022   -91.83771
   24    20 S   CT   _CB2    32     1.53032   112.25877   141.25052
   25    24 S   HC   HB21    33     1.09450   111.13521    52.19027
   26    24 S   HC   HB22    34     1.09580   109.74124   170.06574
   27    22 S   N    _N3_    24     1.38618   112.74739    84.68608
   28    27 S   H    _HN3    25     1.01562   119.44397     3.70539
   29    24 S   S    _SG2    35     1.82991   111.14287   -71.96074
   30    27 S   CT   _CA3    26     1.45406   122.89533   179.81977
   31    30 S   HC   HA31    27     1.09547   108.84139    32.14671
   32    30 S   HC   HA32    28     1.09483   107.20075   149.06985
   33    29 S   CT   _C10    36     1.84332   100.28420   124.50574
   34    33 S   HC   _H3_    37     1.09594   105.22324    49.36503
   35    30 S   CO3  _C3_    29     1.52973   113.56860   -90.98606
   36    35 S   O2Z  _O31    30     1.26367   115.66190   -38.76174
   37    35 S   O2Z  _O32    31     1.26399   114.80130   142.19552
   38    33 S   CA   _C9_    38     1.52189   110.70464   165.75309
   39    33 S   CM   _C11    51     1.51237   109.73065   -69.93854
   40    39 S   HC   _H12    52     1.09095   115.67767   -54.09807
   41    38 S   CA   _C4_    39     1.40561   119.46237  -116.94537
   42    41 S   HA   _H9_    40     1.08781   120.29341     0.06561
   43    39 S   CMA  _C12    53     1.35417   126.62379   124.90357
   44    43 S   OM   _O33    54     1.26732   126.01752     2.00467
   45    41 S   CA   _C5_    41     1.39704   120.94532  -179.78330
   46    45 S   HA   _H10    42     1.08614   119.31165  -180.00000
   47    43 S   OS1  _O34    55     1.41831   109.55796  -179.39672
   48    45 S   CA   _C6_    43     1.39255   119.71777     0.09279
   49    47 S   CO1  _C13    56     1.44012   115.08788   141.23934
   50    49 S   HC   _H4_    57     1.09861   109.31413    57.71255
   51    48 S   CA   _C7_    44     1.39166   120.12582     0.07402
   52    48 S   OH   _O41    49     1.36716   120.47591  -179.98022
   53    52 S   HO   _H20    50     0.97199   108.66011    -0.23573
   54    49 S   CT   _C14    58     1.53549   106.55231   175.81778
   55    54 S   HC   _H5_    59     1.09542   109.57563    51.64982
   56    38 S   CA   _C8_    45     1.40644   122.02596    63.54628
   57    56 S   HA   _H11    46     1.08725   119.93328    -0.26980
   58    51 S   OH   _O40    47     1.36773   119.29042   179.90309
   59    58 S   HO   _H19    48     0.97210   108.66103  -179.38103
   60    54 S   CT   _C15    60     1.53129   111.59492   173.82314
   61    60 S   HC   _H6_    61     1.09675   110.10787    73.96937
   62    54 S   OH5  _O39    76     1.43018   110.06189   -64.78489
   63    62 S   HO   _H18    77     0.97216   108.11372   -57.61720
   64    60 S   CT   _C16    62     1.53222   111.43761   -48.46207
   65    64 S   HC   _H7_    63     1.09616   108.80139   -71.55393
   66    60 S   OH5  _O38    74     1.42930   109.98961  -170.19532
   67    66 S   HO   _H17    75     0.97623   108.33960    51.70382
   68    64 S   CT   _C17    64     1.53343   110.12922    50.11636
   69    68 S   HC   _H8_    65     1.09852   110.15576    62.29627
   70    64 S   OH5  _O37    72     1.42655   109.82237   171.56851
   71    70 S   HO   _H16    73     0.97231   108.14073   -56.28901
   72    49 S   OS1  _O35    66     1.43257   111.28144   -64.45361
   73    68 S   CT   _C18    67     1.53096   113.37647  -178.18620
   74    73 S   HC   _H13    68     1.09437   110.90320   -65.80085
   75    73 S   HC   _H14    69     1.09450   109.89198   173.78331
   76    73 S   OH5  _O36    70     1.42197   111.05325    54.57807
   77    76 S   HO   _H15    71     0.97276   106.90472   172.67271
  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
  13   6   2   1   1  12   7   3   8   4   6   2   7   3   8   7
  13   6   6   3   1  12   7   3   1   1   1  13   7   4   1  12
   7   3   1   9   6   3   1   4   4   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    56    57    58    39    40    43  
   40    43    44    47    49    41    56  
   43    44    47  
   42    45    46    48    51    56    57    52  
   45    46    48    56  
   44    47    49    50    54    72  
   47    49  
   46    48    51    56    58    52    53  
   48    51    52  
   49    50    54    55    60    68    72    62  
   51    56    57    58    59    52    53  
   50    54    55    60    61    64    68    69    72    73    66    62    63  
   54    55    60    68    72    62  
   56    57    58    59    52    53  
   53    56    58  
    0  
   55    60    61    64    65    68    72    70    66    67    62    63  
   60    61    64    72    66    62    63  
   57    58    59  
   58  
   59  
    0  
   61    64    65    68    69    72    73    70    71    66    67    62    63  
   64    65    68    70    66    67    62  
   63    64    66    72  
    0  
   65    68    69    72    73    74    75    76    70    71    66    67  
   68    69    72    73    70    71    66  
   67    68    70  
    0  
   69    72    73    74    75    76    77    70    71  
   72    73    74    75    76    70  
   71    72    73  
    0  
   73    74    75    76  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   2.9000   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   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  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    56   469.000  1.400
   51    58   450.000  1.364
   56    57   367.000  1.080
   58    59   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   370.000  1.399
   49    50   360.000  1.097
   49    54   255.000  1.525
   49    72   370.000  1.399
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   355.000  1.421
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   335.000  1.422
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   355.000  1.421
   76    77   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   62    63   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    58    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    59    35.00000  113.00000
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    60.00000  105.75400
   47    49    54    90.00000  109.70700
   47    49    72   110.00000  113.16000
   49    54    55    45.00000  109.54000
   49    54    60    70.00000  111.10000
   49    54    62    90.00000  109.42000
   49    72    68    90.00000  112.10700
   54    49    50    45.00000  111.65000
   54    60    61    37.50000  110.70000
   54    60    64    58.35000  112.70000
   54    60    66    90.00000  111.45300
   54    62    63    65.00000  108.53500
   60    54    55    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    68    58.35000  112.70000
   60    64    70    90.00000  111.45300
   60    66    67    65.00000  108.53500
   64    60    61    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    95.00000  107.88500
   64    68    73    58.35000  112.70000
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    90.00000  111.45300
   72    49    50    60.00000  105.75400
   72    49    54    90.00000  109.70700
   72    68    69    55.00000  108.98800
   73    68    69    37.50000  110.70000
   73    68    72    95.00000  107.88500
   73    76    77    65.00000  108.53500
   75    73    74    33.00000  107.80000
   76    73    74    60.00000  109.39000
   76    73    75    60.00000  109.39000
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    60    61    60.00000  109.39000
   66    60    64    90.00000  111.45300
   62    54    55    60.00000  109.39000
   62    54    60    90.00000  111.45300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    58    59   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    51    58    59   0.84100 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   52    48    51    56   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    72  -0.48150  1.0 1.0
   43    47    49    72   0.09250 -1.0 2.0
   43    47    49    72  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    60   0.62750  1.0 1.0
   47    49    54    60  -0.30950 -1.0 2.0
   47    49    54    60   0.27300  1.0 3.0
   47    49    54    62   1.51850  1.0 1.0
   47    49    72    68  -0.70400  1.0 1.0
   47    49    72    68  -0.90350 -1.0 2.0
   49    54    60    61   0.15000  1.0 3.0
   49    54    60    64   0.56750  1.0 1.0
   49    54    60    64  -0.07550 -1.0 2.0
   49    54    60    64   0.20000  1.0 3.0
   49    54    60    66  -0.47750  1.0 1.0
   49    54    62    63   0.29150  1.0 1.0
   49    54    62    63  -0.28350 -1.0 2.0
   49    54    62    63   0.43600  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    60   0.15000  1.0 3.0
   50    49    54    62   0.23400  1.0 3.0
   50    49    72    68   0.37050  1.0 3.0
   54    49    72    68   0.06250  1.0 1.0
   54    49    72    68  -0.01100 -1.0 2.0
   54    49    72    68   0.28050  1.0 3.0
   54    60    64    65   0.15000  1.0 3.0
   54    60   -64    68   0.56750  1.0 1.0
   54    60   -64    68  -0.07550 -1.0 2.0
   54    60   -64    68   0.20000  1.0 3.0
   54    60    64    70  -0.47750  1.0 1.0
   54    60    66    67   0.29150  1.0 1.0
   54    60    66    67  -0.28350 -1.0 2.0
   54    60    66    67   0.43600  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    64   0.15000  1.0 3.0
   55    54    60    66   0.23400  1.0 3.0
   55    54    62    63   0.19450  1.0 3.0
   60    54    62    63   0.29150  1.0 1.0
   60    54    62    63  -0.28350 -1.0 2.0
   60    54    62    63   0.43600  1.0 3.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    72   0.62750  1.0 1.0
   60    64    68    72  -0.30950 -1.0 2.0
   60    64    68    72   0.27300  1.0 3.0
   60    64    68    73   0.56750  1.0 1.0
   60    64    68    73  -0.07550 -1.0 2.0
   60    64    68    73   0.20000  1.0 3.0
   60    64    70    71   0.29150  1.0 1.0
   60    64    70    71  -0.28350 -1.0 2.0
   60    64    70    71   0.43600  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    70   0.23400  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67   0.29150  1.0 1.0
   64    60    66    67  -0.28350 -1.0 2.0
   64    60    66    67   0.43600  1.0 3.0
   64    68   -72    49   0.06250  1.0 1.0
   64    68   -72    49  -0.01100 -1.0 2.0
   64    68   -72    49   0.28050  1.0 3.0
   64    68    73    74   0.15000  1.0 3.0
   64    68    73    75   0.15000  1.0 3.0
   64    68    73    76  -0.47750  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.23400  1.0 3.0
   65    64    68    73   0.15000  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    73    76    77   0.29150  1.0 1.0
   68    73    76    77  -0.28350 -1.0 2.0
   68    73    76    77   0.43600  1.0 3.0
   69    68    72    49   0.37050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   72    49    54    55   0.23400  1.0 3.0
   72    49   -54    60   0.62750  1.0 1.0
   72    49   -54    60  -0.30950 -1.0 2.0
   72    49   -54    60   0.27300  1.0 3.0
   72    49    54    62   1.51850  1.0 1.0
   72    68    73    74   0.23400  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    76   1.51850  1.0 1.0
   73    68    72    49   0.06250  1.0 1.0
   73    68    72    49  -0.01100 -1.0 2.0
   73    68    72    49   0.28050  1.0 3.0
   74    73    76    77   0.19450  1.0 3.0
   75    73    76    77   0.19450  1.0 3.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72   1.51850  1.0 1.0
   70    64    68    73  -0.47750  1.0 1.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68  -0.47750  1.0 1.0
   66    60    64    70   3.77950  1.0 1.0
   62    54    60    61   0.23400  1.0 3.0
   62    54    60    64  -0.47750  1.0 1.0
   62    54    60    66   3.77950  1.0 1.0
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
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   56    58    51    48   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
END
