* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    212     396
    1     0 S   NP   _N1_     1    29.01160    95.22546   -24.81363
    2     1 S   H    _HN1     2     1.02948    68.71369    22.94559
    3     1 S   H    _H1_     3     1.02827    38.54455  -163.06403
    4     1 S   H    _H2_     4     1.02789   116.68910   -77.59662
    5     1 S   CT   _CA1     5     1.50119   128.43202   122.64597
    6     5 S   HC   _HA1     6     1.09572   105.17479    99.11196
    7     5 S   CO3  _C1_     7     1.53784   112.51930   -21.10514
    8     7 S   O2Z  _O11     8     1.26375   115.00304   -41.13392
    9     7 S   O2Z  _O12     9     1.26242   114.95174   137.99135
   10     5 S   CT   _CB1    10     1.53076   107.41928  -142.88236
   11    10 S   HC   HB11    11     1.09836   109.35785   -49.36841
   12    10 S   HC   HB12    12     1.09812   110.44904    67.24256
   13    10 S   CT   _CG1    13     1.52998   112.62208  -170.32594
   14    13 S   HC   HG11    14     1.09575   110.67685   -66.56773
   15    13 S   HC   HG12    15     1.09672   109.73789    52.67054
   16    13 S   C    _CD1    16     1.51801   112.16249   173.14783
   17    16 S   O    _OE1    17     1.22737   123.25788     9.42529
   18    16 S   N    _N2_    18     1.38658   111.71829  -170.63175
   19    18 S   H    _HN2    19     1.01573   118.92665     1.66530
   20    18 S   CT1  _CA2    20     1.46211   123.40406   177.10849
   21    20 S   HC   _HA2    21     1.09736   109.33791     5.62908
   22    20 S   C    _C2_    22     1.53612   108.68426  -109.89024
   23    22 S   O    _O2_    23     1.23065   122.26330  -147.87528
   24    20 S   CT   _CB2    32     1.53337   111.58505   127.64686
   25    24 S   HC   HB21    33     1.09587   110.08425    56.44265
   26    24 S   HC   HB22    34     1.09459   109.95769   175.54847
   27    22 S   N    _N3_    24     1.38320   113.78845    39.54760
   28    27 S   H    _HN3    25     1.01562   119.62447    -3.11602
   29    24 S   S    _SG2    35     1.82734   111.51290   -64.56766
   30    27 S   CT   _CA3    26     1.45290   123.25273   177.23367
   31    30 S   HC   HA31    27     1.09547   107.49666   -65.10601
   32    30 S   HC   HA32    28     1.09555   108.01139    51.35056
   33    29 S   CT   _C20    36     1.82387    99.68514   171.63806
   34    33 S   HC   _H3_    37     1.09535   109.12501   -49.47109
   35    30 S   CO3  _C3_    29     1.52971   114.04855   173.35899
   36    35 S   O2Z  _O31    30     1.26381   116.06676    -0.62024
   37    35 S   O2Z  _O32    31     1.26424   114.42122   179.43977
   38    33 S   CO4  _C18    38     1.50373   110.29909    68.61867
   39    38 S   O    _O23    39     1.22805   122.04846   -95.94015
   40    38 S   CA   _C7_    40     1.48024   117.15246    81.17150
   41    40 S   CA   _C6_    41     1.40962   117.89937    25.62664
   42    41 S   CA   _C14    42     1.41712   115.96873  -175.98712
   43    41 S   CMA  _C17    70     1.52713   121.24214     5.88966
   44    43 S   OM   _O21    71     1.26866   119.99323   161.16432
   45    42 S   CA   _C12    43     1.40691   122.45179    -1.01645
   46    42 S   OH   _O25    68     1.37740   122.12784   178.36016
   47    46 S   HO   _H42    69     0.97536   107.74533     4.39828
   48    33 S   CM   _C19    72     1.50040   110.40369  -169.93372
   49    45 S   CA   _C9_    44     1.38874   120.19103    -0.30901
   50    45 S   OS   _O24    58     1.37248   116.23045   180.00000
   51    48 S   OS   _O28    73     1.39609   113.34712    84.61497
   52    40 S   CA   _C15    45     1.41267   120.15710  -152.12459
   53    49 S   CO4  _C16    48     1.48251   117.99464  -179.27638
   54    53 S   O    _O22    49     1.22220   121.06900   176.87576
   55    51 S   CT   _C23    74     1.42710   111.13348    88.00296
   56    55 S   HC   _H39    75     1.09399   107.81856   177.71201
   57    55 S   HC   _H40    76     1.09506   111.43037    59.29727
   58    55 S   HC   _H41    77     1.09454   111.29948   -64.01690
   59    52 S   OH   _O26    46     1.37104   121.20768    -2.10496
   60    59 S   HO   _H43    47     0.97287   109.83458    -7.20895
   61    53 S   CA   _C8_    50     1.48232   117.78781    -2.70993
   62    61 S   CA   _C10    51     1.40973   123.33261  -177.52963
   63    62 S   CA   _C4_    52     1.40754   118.64158  -179.61235
   64    63 S   HA   _H30    53     1.08924   119.64050   179.90109
   65    62 S   CT   _C21    64     1.50389   123.61574     0.35608
   66    65 S   HC   _H33    65     1.09445   110.47074   -62.60756
   67    65 S   HC   _H34    66     1.09451   110.50863    59.65440
   68    65 S   HC   _H35    67     1.09569   111.63312   178.44770
   69    63 S   CA   _C13    54     1.39763   121.67840    -0.12511
   70    69 S   CA   _C5_    55     1.39151   118.98690    -0.01978
   71    70 S   HA   _H31    56     1.08626   121.49632  -179.96574
   72    69 S   OS   _O27    59     1.36892   115.02129  -179.98022
   73    61 S   CA   _C11    57     1.39603   117.07918     2.60196
   74    72 S   CT   _C22    60     1.42280   116.83364   180.00000
   75    74 S   HC   _H36    61     1.09428   107.75336   180.00000
   76    74 S   HC   _H37    62     1.09501   111.13073    62.23106
   77    74 S   HC   _H38    63     1.09501   111.12996   -62.24650
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  11   6   2   1   1  10   4  12  12  11   7   2  11   3   1   5
   9   8   4   5   8   3   3   2   1   1   1   1  11  10  11   4
   5   2   1   1   8   4   2   5   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    43    44    48    51    55  
   38    39    40    43    48    51  
   36    37  
   37  
    0  
   39    40    41    42    49    52    59    43    48    51  
   40    41    52    48  
   41    42    45    49    52    59    60    53    46    43    44    48  
   42    45    49    52    59    50    46    47    43    44    48    51  
   45    49    52    53    73    50    46    47    43    44    48  
   44    48    51    55    45    46    52  
   48    51  
   49    52    59    53    54    61    70    73    50    46    47  
   47    49    50  
    0  
   51    55    56    57    58  
   52    59    60    53    54    61    62    73    50  
   52    53    61    62    69    70    71    73  
   55    56    57    58  
   59    60    53    54    61  
   54    61    62    63    70    73    65    59  
   61    62    73  
   56    57    58  
   57    58  
   58  
    0  
   60  
    0  
   62    63    64    69    70    71    73    65    66    67    68  
   63    64    69    70    73    72    65    66    67    68  
   64    69    70    71    73    72    74    65    66    67    68  
   69    70    72    65  
   66    67    68    69    73  
   67    68  
   68  
    0  
   70    71    73    72    74    75    76    77  
   71    73    72    74  
   73    72  
   74    75    76    77    73  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    48   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    52   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    49   469.000  1.400
   45    50   450.000  1.364
   49    52   469.000  1.400
   49    53   310.000  1.470
   52    59   450.000  1.364
   59    60   553.000  0.945
   53    54   570.000  1.229
   53    61   310.000  1.470
   61    62   469.000  1.400
   61    73   469.000  1.400
   62    63   469.000  1.400
   62    65   317.000  1.510
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    50   450.000  1.364
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   46    47   553.000  0.945
   43    44   745.000  1.250
   43    48   465.000  1.376
   48    51   440.000  1.360
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    48    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    43    70.00000  124.00000
   33    48    51    85.00000  112.85300
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    52    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    52    49    63.00000  120.00000
   40    52    59    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    85.00000  114.86500
   41    43    48    60.00000  123.20500
   42    45    49    63.00000  120.00000
   42    45    50    70.00000  120.00000
   42    46    47    35.00000  113.00000
   45    49    52    63.00000  120.00000
   45    49    53    60.00000  119.52600
   45    50    73    85.00000  114.70000
   49    52    59    70.00000  120.00000
   49    53    54    75.00000  123.78400
   49    53    61    65.00000  116.00000
   52    40    41    63.00000  120.00000
   52    59    60    35.00000  113.00000
   53    49    52    60.00000  119.52600
   53    61    62    60.00000  119.52600
   53    61    73    60.00000  119.52600
   61    53    54    75.00000  123.78400
   61    62    63    63.00000  120.00000
   61    62    65    70.00000  120.00000
   61    73    70    63.00000  120.00000
   61    73    50    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    69    63.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    63.00000  120.00000
   63    69    72    70.00000  120.00000
   69    63    64    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    72    74    75.00000  111.00000
   70    73    50    70.00000  120.00000
   73    61    62    63.00000  120.00000
   73    70    71    35.00000  120.00000
   50    45    49    70.00000  120.00000
   72    69    70    70.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    62    63    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   46    42    45    70.00000  120.00000
   43    41    42    60.00000  120.93500
   43    48    51    80.00000  120.01400
   48    33    34    35.00000  109.50000
   48    33    38    70.00000  109.06800
   48    43    44    65.00000  137.10300
   48    51    55    90.00000  111.18400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.42700  1.0 1.0
   29    33    48    43  -0.70350 -1.0 2.0
   29    33    48    43  -0.43150  1.0 3.0
   29    33    48    51   0.09700  1.0 1.0
   29    33    48    51   0.15600 -1.0 2.0
   29    33    48    51  -0.50800  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    52   2.26350  1.0 1.0
   33    38    40    52   0.76750 -1.0 2.0
   33    38    40    52   0.22500  1.0 3.0
   33    48    51    55   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.00000  1.0 1.0
   34    33    48    51   0.00000  1.0 1.0
   38    33    48    43  -0.51250  1.0 1.0
   38    33    48    43  -0.88800 -1.0 2.0
   38    33    48    43   0.08850  1.0 3.0
   38    33    48    51   0.09700  1.0 1.0
   38    33    48    51   0.15600 -1.0 2.0
   38    33    48    51  -0.50800  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    52    49   3.62500 -1.0 2.0
   38    40    52    59   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    52   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44  -0.01750  1.0 1.0
   40    41    43    44  -0.32000 -1.0 2.0
   40    41    43    44   0.00600  1.0 3.0
   40    41    43    48   0.15800  1.0 1.0
   40    41    43    48   1.85350 -1.0 2.0
   40    41    43    48  -0.48700  1.0 3.0
   40    52    59    60   0.84100 -1.0 2.0
   41    40    52    49   3.62500 -1.0 2.0
   41    40    52    59   3.62500 -1.0 2.0
   41    42   -45    49   3.62500 -1.0 2.0
   41    42    45    50   3.62500 -1.0 2.0
   41    42    46    47   0.84100 -1.0 2.0
   41    43   -48    33   7.00000 -1.0 2.0
   41    43    48    51   7.00000 -1.0 2.0
   42    41    43    44  -0.01750  1.0 1.0
   42    41    43    44  -0.32000 -1.0 2.0
   42    41    43    44   0.00600  1.0 3.0
   42    41    43    48   0.15800  1.0 1.0
   42    41    43    48   1.85350 -1.0 2.0
   42    41    43    48  -0.48700  1.0 3.0
   42    45    49    52   3.62500 -1.0 2.0
   42    45    49    53   3.62500 -1.0 2.0
   42    45    50    73   0.47150 -1.0 2.0
   45    42    46    47   0.84100 -1.0 2.0
   45    49   -52    40   3.62500 -1.0 2.0
   45    49    52    59   3.62500 -1.0 2.0
   45    49    53    54   1.05000 -1.0 2.0
   45    49    53    61   0.56600 -1.0 2.0
   49    45    50    73   0.47150 -1.0 2.0
   49    52    59    60   0.84100 -1.0 2.0
   49    53    61    62   0.56600 -1.0 2.0
   49    53   -61    73   0.56600 -1.0 2.0
   52    40   -41    42   3.62500 -1.0 2.0
   52    40    41    43   3.62500 -1.0 2.0
   52    49    53    54   1.05000 -1.0 2.0
   52    49    53    61   0.56600 -1.0 2.0
   53    49    52    40   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   53    61    62    65   3.62500 -1.0 2.0
   53    61    73    70   3.62500 -1.0 2.0
   53    61    73    50   3.62500 -1.0 2.0
   54    53    61    62   1.05000 -1.0 2.0
   54    53    61    73   1.05000 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    69   3.62500 -1.0 2.0
   61    62    65    66   0.00000  1.0 1.0
   61    62    65    67   0.00000  1.0 1.0
   61    62    65    68   0.00000  1.0 1.0
   61    73   -50    45   0.47150 -1.0 2.0
   62    61    73    70   3.62500 -1.0 2.0
   62    61    73    50   3.62500 -1.0 2.0
   62    63   -69    70   3.62500 -1.0 2.0
   62    63    69    72   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    73   3.62500 -1.0 2.0
   63    69    72    74   1.63200 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    72   3.62500 -1.0 2.0
   69    70   -73    61   3.62500 -1.0 2.0
   69    70    73    50   3.62500 -1.0 2.0
   69    72    74    75   0.08050  1.0 3.0
   69    72    74    76   0.08050  1.0 3.0
   69    72    74    77   0.08050  1.0 3.0
   70    69    72    74   1.63200 -1.0 2.0
   70    73    50    45   0.47150 -1.0 2.0
   71    70    73    61   3.62500 -1.0 2.0
   71    70    73    50   3.62500 -1.0 2.0
   73    61   -62    63   3.62500 -1.0 2.0
   73    61    62    65   3.62500 -1.0 2.0
   50    45    49    52   3.62500 -1.0 2.0
   50    45   -49    53   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    73   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    69   3.62500 -1.0 2.0
   46    42    45    49   3.62500 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    48    51    55  -2.26850  1.0 1.0
   43    48    51    55   3.39050 -1.0 2.0
   44    43    48    33   7.00000 -1.0 2.0
   44    43    48    51   7.00000 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    51    55    56   0.08050  1.0 3.0
   48    51    55    57   0.08050  1.0 3.0
   48    51    55    58   0.08050  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    52    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   49    50    45    42   4.00000 -1.0 2.0
   52    53    49    45   4.00000 -1.0 2.0
   49    59    52    40   4.00000 -1.0 2.0
   49    61    53    54  10.50000 -1.0 2.0
   62    73    61    53   4.00000 -1.0 2.0
   63    65    62    61   4.00000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
   70    72    69    63   4.00000 -1.0 2.0
   73    71    70    69   1.10000 -1.0 2.0
   70    50    73    61   4.00000 -1.0 2.0
   41    44    43    48   1.10000 -1.0 2.0
   33    51    48    43   1.10000 -1.0 2.0
END
