* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    215     404
    1     0 S   NP   _N1_     1    27.99163    94.64503   -23.94608
    2     1 S   H    _HN1     2     1.02957    86.30258    -0.29342
    3     1 S   H    _H1_     3     1.02836    23.62581   151.48575
    4     1 S   H    _H2_     4     1.02777   105.09054  -108.29504
    5     1 S   CT   _CA1     5     1.50139   130.45893   113.52459
    6     5 S   HC   _HA1     6     1.09576   105.20013    74.48221
    7     5 S   CO3  _C1_     7     1.53778   112.33346   -45.66929
    8     7 S   O2Z  _O11     8     1.26366   114.99248   -44.34960
    9     7 S   O2Z  _O12     9     1.26233   114.92948   134.65203
   10     5 S   CT   _CB1    10     1.53090   107.41015  -167.64538
   11    10 S   HC   HB11    11     1.09829   109.29795   -50.55363
   12    10 S   HC   HB12    12     1.09815   110.44981    65.99342
   13    10 S   CT   _CG1    13     1.53023   112.68309  -171.61845
   14    13 S   HC   HG11    14     1.09594   110.50617   -65.04012
   15    13 S   HC   HG12    15     1.09659   109.90431    54.16337
   16    13 S   C    _CD1    16     1.51850   112.28114   174.50239
   17    16 S   O    _OE1    17     1.22759   123.28891     1.41637
   18    16 S   N    _N2_    18     1.38562   111.74750  -178.55951
   19    18 S   H    _HN2    19     1.01560   119.05847     4.02438
   20    18 S   CT1  _CA2    20     1.45800   122.82774   177.60347
   21    20 S   HC   _HA2    21     1.09739   108.94175    24.56009
   22    20 S   C    _C2_    22     1.52998   107.18745   -92.37761
   23    22 S   O    _O2_    23     1.22960   123.14872   -24.40660
   24    20 S   CT   _CB2    32     1.53318   112.26801   147.78190
   25    24 S   HC   HB21    33     1.09469   109.73124    54.51151
   26    24 S   HC   HB22    34     1.09313   109.44876   173.15344
   27    22 S   N    _N3_    24     1.38512   112.44804   158.36971
   28    27 S   H    _HN3    25     1.01650   120.28465    -2.71714
   29    24 S   S    _SG2    35     1.82758   110.88267   -66.96559
   30    27 S   CT   _CA3    26     1.45348   122.62749   178.23864
   31    30 S   HC   HA31    27     1.09565   108.02706   -51.25227
   32    30 S   HC   HA32    28     1.09553   107.45702    65.16052
   33    29 S   CT   _C14    36     1.85744   101.98009   173.93615
   34    33 S   OM   _O36    37     1.32128   107.58131  -174.91832
   35    30 S   CO3  _C3_    29     1.52912   114.20165  -173.24936
   36    35 S   O2Z  _O31    30     1.26352   116.02892     0.67435
   37    35 S   O2Z  _O32    31     1.26421   114.43083  -179.42870
   38    33 S   CM   _C13    38     1.51781   108.11042   -62.49546
   39    38 S   HC   _H8_    39     1.09071   118.52683   -58.08460
   40    38 S   CM   _C12    40     1.34018   123.05757   129.60509
   41    40 S   CT   _C11    41     1.50876   126.01657    -2.40729
   42    41 S   CA   _C9_    42     1.50755    99.47414   148.24191
   43    41 S   CO4  _C16    63     1.52539   107.17529    25.51090
   44    43 S   O    _O34    64     1.23047   121.41362   134.34913
   45    41 S   CT   _C19    73     1.53479   111.96537   -96.37469
   46    45 S   HC   _H12    74     1.09402   112.35800    59.25706
   47    45 S   HC   _H13    75     1.09720   111.99679   -61.06218
   48    45 S   HC   _H14    76     1.09647   110.93487   178.96146
   49    42 S   CA   _C8_    43     1.40449   108.32640    12.62620
   50    33 S   CT   _C15    65     1.56918   112.79118    64.72765
   51    50 S   HC   _H3_    66     1.09661   110.01979   -39.04058
   52    49 S   CA   _C7_    44     1.38578   122.61108   175.08291
   53    40 S   OS   _O37    62     1.39264   121.63024   162.29000
   54    50 S   CO4  _C17    67     1.54301   115.21047    77.71911
   55    54 S   O    _O35    68     1.23211   122.89699    98.36751
   56    52 S   CA   _C6_    45     1.40657   117.03722    -1.04305
   57    52 S   CO4  _C20    56     1.48624   121.80442   179.83568
   58    57 S   O    _O38    57     1.22918   119.32605   147.51096
   59    54 S   CT   _C18    69     1.50918   117.30800   -80.13940
   60    59 S   HC   _H9_    70     1.09150   109.93615    82.87215
   61    59 S   HC   _H10    71     1.09277   110.33979   -39.08508
   62    59 S   HC   _H11    72     1.09399   109.24885  -157.50202
   63    56 S   CA   _C5_    46     1.41727   121.68597     2.01654
   64    56 S   OH   _O39    54     1.37448   121.49397  -178.39709
   65    64 S   HO   _H18    55     0.97345   109.25169     7.72301
   66    57 S   CT   _C21    58     1.50606   119.44091   -33.06922
   67    66 S   HC   _H15    59     1.09252   109.90232    91.46669
   68    66 S   HC   _H16    60     1.09325   111.18623   -31.33978
   69    66 S   HC   _H17    61     1.09449   108.82119  -149.07337
   70    42 S   CA   _C10    47     1.38694   131.58521  -173.39523
   71    63 S   CT   _C4_    50     1.50698   120.21655  -179.21865
   72    71 S   HC   _H4_    51     1.09435   109.83896    82.90909
   73    71 S   HC   _H5_    52     1.09465   111.76856  -156.33982
   74    71 S   HC   _H6_    53     1.09497   111.15046   -37.90873
   75    70 S   OH   _O33    48     1.36573   121.48993     4.84367
   76    75 S   HO   _H7_    49     0.97283   108.88853    17.45822
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  11   4  13  16  17  13   4   7   2   1   1
  10   7   3  13   3   5   4  12   7   4   3   2   1   1   9   3
   1   3   2   1   1   6   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    50    51    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    50    51    54    55    59  
   38    39    40    43    50    51    54  
   36    37  
   37  
    0  
   39    40    41    42    49    53    43    50    51    54    45  
   40    41    53    50  
   41    42    49    52    70    53    43    44    50    45    46    47    48  
   42    49    52    63    70    75    53    43    44    50    51    54    45    46    47    48  
   49    52    56    63    70    75    76    71    57    53    43    44    50    45    46    47    48  
   44    50    51    54    55    59    45    46    47    48    49    53    70  
   50    51    54    45  
   46    47    48    49    50    53    70  
   47    48  
   48  
    0  
   52    56    63    70    75    64    57    58    66    53  
   51    54    55    59    60    61    62  
   54    55    59  
   56    63    70    71    64    65    57    58    66    67    68    69    53  
   56    57    70  
   55    59    60    61    62  
   59    60    61    62  
   63    70    75    71    72    73    74    64    65    57    58    66  
   58    66    67    68    69    63    64  
   66    67    68    69  
   60    61    62  
   61    62  
   62  
    0  
   70    75    76    71    72    73    74    64    65  
   65    70    71  
    0  
   67    68    69  
   68    69  
   69  
    0  
   75    76    71    72    73    74  
   72    73    74    75  
   73    74  
   74  
    0  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   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   570.000  1.307
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    53   440.000  1.360
   41    42   317.000  1.510
   41    43   317.000  1.522
   41    45   268.000  1.529
   42    49   469.000  1.400
   42    70   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    56   469.000  1.400
   52    57   310.000  1.470
   56    63   469.000  1.400
   56    64   450.000  1.364
   63    70   469.000  1.400
   63    71   317.000  1.510
   70    75   450.000  1.364
   75    76   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   64    65   553.000  0.945
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    54   317.000  1.522
   54    55   570.000  1.229
   54    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    50    43    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    54    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    40    41    70.00000  124.00000
   38    40    53    80.00000  120.01400
   40    38    39    35.00000  120.00000
   40    41    42    70.00000  112.99600
   40    41    43    70.00000  109.06800
   40    41    45    70.00000  112.02700
   40    53    49    90.00000  114.30300
   41    42    49    70.00000  120.00000
   41    42    70    70.00000  120.00000
   41    43    44    80.00000  120.40000
   41    43    50    70.00000  116.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    52    63.00000  120.00000
   42    49    53    70.00000  120.00000
   42    70    63    63.00000  120.00000
   42    70    75    70.00000  120.00000
   49    52    56    63.00000  120.00000
   49    52    57    60.00000  119.52600
   52    56    63    63.00000  120.00000
   52    56    64    70.00000  120.00000
   52    57    58    75.00000  123.78400
   52    57    66    65.00000  115.47100
   56    63    70    63.00000  120.00000
   56    63    71    70.00000  120.00000
   56    64    65    35.00000  113.00000
   63    70    75    70.00000  120.00000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   70    42    49    63.00000  120.00000
   70    75    76    35.00000  113.00000
   71    63    70    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   64    56    63    70.00000  120.00000
   57    52    56    60.00000  119.52600
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   66    57    58    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    40    41    85.00000  112.85300
   53    49    52    70.00000  120.00000
   43    41    42    70.00000  110.93000
   43    50    51    35.00000  109.50000
   43    50    54    75.00000  107.99600
   50    33    34    50.00000  109.50000
   50    33    38    70.00000  112.02700
   50    43    44    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    59    70.00000  116.00000
   54    50    51    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   59    54    55    80.00000  120.40000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   45    41    42    70.00000  112.17500
   45    41    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    43   0.56750  1.0 1.0
   29    33    50    43  -0.07550 -1.0 2.0
   29    33    50    43   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    53   7.00000 -1.0 2.0
   33    50    54    55   0.30150 -1.0 2.0
   33    50    54    59   0.60050  1.0 1.0
   33    50    54    59   0.05600 -1.0 2.0
   33    50    54    59   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    50    43  -0.09450  1.0 1.0
   34    33    50    43  -1.12950 -1.0 2.0
   34    33    50    43   0.54000  1.0 3.0
   34    33    50    51   0.23400  1.0 3.0
   34    33    50    54  -0.09450  1.0 1.0
   34    33    50    54  -1.12950 -1.0 2.0
   34    33    50    54   0.54000  1.0 3.0
   38    33    50    43  -0.98800  1.0 1.0
   38    33    50    43   0.48800 -1.0 2.0
   38    33    50    43   0.76800  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54  -0.98800  1.0 1.0
   38    33    50    54   0.48800 -1.0 2.0
   38    33    50    54   0.76800  1.0 3.0
   38    40    41    42   1.44450  1.0 1.0
   38    40    41    42   0.06600 -1.0 2.0
   38    40    41    42   0.29250  1.0 3.0
   38    40   -41    43  -0.51250  1.0 1.0
   38    40   -41    43  -0.88800 -1.0 2.0
   38    40   -41    43   0.08850  1.0 3.0
   38    40    41    45   0.09850  1.0 1.0
   38    40    41    45   0.15250 -1.0 2.0
   38    40    41    45  -0.50650  1.0 3.0
   38    40    53    49   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    53   7.00000 -1.0 2.0
   40    41   -42    49   0.18050 -1.0 2.0
   40    41    42    70   0.18050 -1.0 2.0
   40    41    43    44   0.30150 -1.0 2.0
   40    41    43    50   0.65300  1.0 1.0
   40    41    43    50  -0.03850 -1.0 2.0
   40    41    43    50   0.33900  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    47   0.15000  1.0 3.0
   40    41    45    48   0.15000  1.0 3.0
   41    40   -53    49   2.00000 -1.0 2.0
   41    42    49    52   3.62500 -1.0 2.0
   41    42   -49    53   3.62500 -1.0 2.0
   41    42    70    63   3.62500 -1.0 2.0
   41    42    70    75   3.62500 -1.0 2.0
   41    43   -50    33   0.60050  1.0 1.0
   41    43   -50    33   0.05600 -1.0 2.0
   41    43   -50    33   0.26150  1.0 3.0
   41    43    50    51   0.00000  1.0 1.0
   41    43    50    54   0.65300  1.0 1.0
   41    43    50    54  -0.03850 -1.0 2.0
   41    43    50    54   0.33900  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    50   0.65300  1.0 1.0
   42    41    43    50  -0.03850 -1.0 2.0
   42    41    43    50   0.33900  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    47   0.43200  1.0 3.0
   42    41    45    48   0.43200  1.0 3.0
   42    49    52    56   3.62500 -1.0 2.0
   42    49    52    57   3.62500 -1.0 2.0
   42    49   -53    40   0.00000  1.0 1.0
   42    70    75    76   0.84100 -1.0 2.0
   49    42    70    63   3.62500 -1.0 2.0
   49    42    70    75   3.62500 -1.0 2.0
   49    52   -56    63   3.62500 -1.0 2.0
   49    52    56    64   3.62500 -1.0 2.0
   49    52    57    58   1.05000 -1.0 2.0
   49    52    57    66   2.26350  1.0 1.0
   49    52    57    66   0.76750 -1.0 2.0
   49    52    57    66   0.22500  1.0 3.0
   52    49    53    40   0.00000  1.0 1.0
   52    56    63    70   3.62500 -1.0 2.0
   52    56    63    71   3.62500 -1.0 2.0
   52    56    64    65   0.84100 -1.0 2.0
   52    57    66    67   0.00000  1.0 1.0
   52    57    66    68   0.00000  1.0 1.0
   52    57    66    69   0.00000  1.0 1.0
   56    52    57    58   1.05000 -1.0 2.0
   56    52    57    66   2.26350  1.0 1.0
   56    52    57    66   0.76750 -1.0 2.0
   56    52    57    66   0.22500  1.0 3.0
   56    63   -70    42   3.62500 -1.0 2.0
   56    63    70    75   3.62500 -1.0 2.0
   56    63    71    72   0.00000  1.0 1.0
   56    63    71    73   0.00000  1.0 1.0
   56    63    71    74   0.00000  1.0 1.0
   63    56    64    65   0.84100 -1.0 2.0
   63    70    75    76   0.84100 -1.0 2.0
   70    42   -49    52   3.62500 -1.0 2.0
   70    42    49    53   3.62500 -1.0 2.0
   70    63    71    72   0.00000  1.0 1.0
   70    63    71    73   0.00000  1.0 1.0
   70    63    71    74   0.00000  1.0 1.0
   71    63    70    42   3.62500 -1.0 2.0
   71    63    70    75   3.62500 -1.0 2.0
   64    56    63    70   3.62500 -1.0 2.0
   64    56    63    71   3.62500 -1.0 2.0
   57    52    56    63   3.62500 -1.0 2.0
   57    52    56    64   3.62500 -1.0 2.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   58    57    66    69   0.00000  1.0 1.0
   53    40   -41    42   0.09700  1.0 1.0
   53    40   -41    42   0.15600 -1.0 2.0
   53    40   -41    42  -0.50800  1.0 3.0
   53    40    41    43   0.09700  1.0 1.0
   53    40    41    43   0.15600 -1.0 2.0
   53    40    41    43  -0.50800  1.0 3.0
   53    40    41    45   0.09700  1.0 1.0
   53    40    41    45   0.15600 -1.0 2.0
   53    40    41    45  -0.50800  1.0 3.0
   53    49    52    56   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   43    41    42    49   0.04300 -1.0 2.0
   43    41    42    70   0.04300 -1.0 2.0
   43    41    45    46  -0.11250  1.0 3.0
   43    41    45    47  -0.11250  1.0 3.0
   43    41    45    48  -0.11250  1.0 3.0
   43    50    54    55   0.30150 -1.0 2.0
   43    50    54    59   0.65300  1.0 1.0
   43    50    54    59  -0.03850 -1.0 2.0
   43    50    54    59   0.33900  1.0 3.0
   44    43    50    33   0.30150 -1.0 2.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    54   0.30150 -1.0 2.0
   50    33    38    39   0.00000  1.0 1.0
   50    33   -38    40   0.09850  1.0 1.0
   50    33   -38    40   0.15250 -1.0 2.0
   50    33   -38    40  -0.50650  1.0 3.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   50    54    59    62   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    59   0.00000  1.0 1.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    62   0.00000  1.0 1.0
   45    41    42    49   0.04150 -1.0 2.0
   45    41    42    70   0.04150 -1.0 2.0
   45    41    43    44   0.30150 -1.0 2.0
   45    41    43    50   0.60050  1.0 1.0
   45    41    43    50   0.05600 -1.0 2.0
   45    41    43    50   0.26150  1.0 3.0
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    39    38    40   1.10000 -1.0 2.0
   41    53    40    38   1.10000 -1.0 2.0
   49    70    42    41   4.00000 -1.0 2.0
   52    53    49    42   4.00000 -1.0 2.0
   56    57    52    49   4.00000 -1.0 2.0
   63    64    56    52   4.00000 -1.0 2.0
   70    71    63    56   4.00000 -1.0 2.0
   63    75    70    42   4.00000 -1.0 2.0
   52    66    57    58  10.50000 -1.0 2.0
   41    50    43    44  10.50000 -1.0 2.0
   50    59    54    55  10.50000 -1.0 2.0
END
