* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    137    221     403
    1     0 S   NP   _N1_     1    29.39432    92.83796   -23.34425
    2     1 S   H    _HN1     2     1.02961    87.40892    37.27423
    3     1 S   H    _H1_     3     1.02829    21.75760  -167.84672
    4     1 S   H    _H2_     4     1.02786   106.62745   -71.03898
    5     1 S   CT   _CA1     5     1.50137   128.25199   151.34017
    6     5 S   HC   _HA1     6     1.09574   105.22647    73.96966
    7     5 S   CO3  _C1_     7     1.53756   112.46423   -46.25586
    8     7 S   O2Z  _O11     8     1.26357   115.00746   -42.91800
    9     7 S   O2Z  _O12     9     1.26245   114.91932   136.25579
   10     5 S   CT   _CB1    10     1.53033   107.36048  -168.16376
   11    10 S   HC   HB11    11     1.09788   109.16150   -51.02073
   12    10 S   HC   HB12    12     1.09827   110.45417    65.40665
   13    10 S   CT   _CG1    13     1.53043   112.81754  -172.17386
   14    13 S   HC   HG11    14     1.09582   110.48127   -65.10231
   15    13 S   HC   HG12    15     1.09644   110.04492    54.27579
   16    13 S   C    _CD1    16     1.51702   112.05177   174.43880
   17    16 S   O    _OE1    17     1.22669   123.10635    -2.14685
   18    16 S   N    _N2_    18     1.38528   111.99246   178.11945
   19    18 S   H    _HN2    19     1.01598   119.10921    -1.11224
   20    18 S   CT1  _CA2    20     1.46045   123.05691   178.89217
   21    20 S   HC   _HA2    21     1.09522   109.10542   -18.20345
   22    20 S   C    _C2_    22     1.53524   108.62123  -133.23865
   23    22 S   O    _O2_    23     1.23044   122.05892  -149.60055
   24    20 S   CT   _CB2    32     1.53589   111.98025   104.72452
   25    24 S   HC   HB21    33     1.09693   109.11965    60.09145
   26    24 S   HC   HB22    34     1.09414   110.87025   176.44774
   27    22 S   N    _N3_    24     1.38503   113.71025    37.69392
   28    27 S   H    _HN3    25     1.01537   118.99475     0.16071
   29    24 S   S    _SG2    35     1.83190   115.62966   -59.27919
   30    27 S   CT   _CA3    26     1.45458   123.13897   177.58735
   31    30 S   HC   HA31    27     1.09541   109.10173    28.65595
   32    30 S   HC   HA32    28     1.09504   107.19607   145.43088
   33    29 S   CT   _C10    36     1.84386   101.24264   -67.74511
   34    33 S   HC   _H3_    37     1.09397   106.81208    44.96934
   35    30 S   CO3  _C3_    29     1.52720   112.94623   -94.73403
   36    35 S   O2Z  _O31    30     1.26447   115.11938   -56.22869
   37    35 S   O2Z  _O32    31     1.26263   115.30643   124.21124
   38    33 S   CA   _C7_    38     1.52305   109.76198   161.07106
   39    33 S   CT   _C11    49     1.53815   111.38068   -73.81073
   40    39 S   HC   _H9_    50     1.09585   111.73261    44.34767
   41    39 S   HC   _H10    51     1.09587   112.87499   -75.34672
   42    38 S   CA   _C6_    39     1.40383   119.62480  -112.58578
   43    42 S   HA   _H6_    40     1.08616   120.33503     0.09487
   44    39 S   C    _C12    52     1.51771   110.20255   163.48808
   45    44 S   O    _O33    53     1.22796   122.10447    96.99153
   46    42 S   CA   _C5_    41     1.39593   120.91073  -179.97202
   47    46 S   HA   _H5_    42     1.08610   119.92242  -179.97202
   48    44 S   N    _N4_    54     1.38384   112.53089   -81.63083
   49    48 S   H    _H11    55     1.01538   119.47504    -1.09754
   50    46 S   CA   _C4_    43     1.39231   120.03857    -0.03956
   51    50 S   HA   _H4_    44     1.08601   120.07874  -179.97202
   52    48 S   CT   _C13    56     1.45179   123.19916   176.49558
   53    52 S   HC   _H12    57     1.09494   107.20079   145.79830
   54    52 S   HC   _H13    58     1.09556   108.86252    29.48395
   55    50 S   CA   _C9_    45     1.39273   119.85993    -0.07913
   56    55 S   HA   _H8_    46     1.08628   119.97321  -179.83929
   57    52 S   CT   _C14    59     1.52996   111.97612   -91.68880
   58    57 S   HC   _H14    60     1.09694   108.74288    61.34178
   59    57 S   HC   _H15    61     1.09695   108.86051   177.33994
   60    38 S   CA   _C8_    47     1.40456   122.07388    67.27095
   61    60 S   HA   _H7_    48     1.08713   120.62273    -0.36316
   62    57 S   C5B  _C15    62     1.50103   114.55599   -61.41845
   63    62 S   C5A  _C16    63     1.38228   126.95926   -40.36226
   64    63 S   HA   _H16    64     1.08131   131.39740     0.40974
   65    63 S   NA   _N5_    65     1.36712   108.64139   179.96574
   66    65 S   H    _H17    66     1.01294   125.15405  -179.37693
   67    65 S   C56A _C17    67     1.37358   110.25316     1.04568
   68    67 S   CA   _C22    68     1.40011   129.81950   179.37693
   69    68 S   HA   _H20    69     1.08514   121.29505     0.37898
   70    68 S   CA   _C21    70     1.39629   117.65309  -179.56076
   71    70 S   HA   _H19    71     1.08669   119.34376  -179.91607
   72    70 S   CA   _C20    72     1.39057   120.46303    -0.10279
   73    72 S   CA   _C19    73     1.39948   121.56362     0.21306
   74    73 S   HA   _H18    74     1.08567   120.78663   179.91377
   75    72 S   OH   _O34    76     1.36856   117.86045  -179.63256
   76    75 S   HO   _H21    77     0.97244   108.46096  -179.91153
   77    62 S   C56B _C18    75     1.43632   126.55612   141.08528
  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
  14   7   2   1   1  13   9   4   3   8   4   7   3   6   3   8
   4   5   3   8   5   4   3   2   9   4   3   1   1  10   7   4
   7   3   8   7   4   7   3   5   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    55    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    50    55    56    60    61    39    40    41    44  
   40    41    44    45    48    49    52    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    50    51    55    60    61  
   46    47    50    60  
   45    48    49    52    53    54    57  
   48    49    52  
   47    50    51    55    56    60  
   50    51    55  
   49    52    53    54    57    58    59    62  
   52    53    54    57  
   51    55    56    60    61  
   55    56    60  
   53    54    57    58    59    62    63    77  
   54    57    58    59    62  
   57    58    59    62  
   56    60    61  
   60    61  
   58    59    62    63    64    65    67    73    77  
   59    62    63    77  
   62    63    77  
   61  
    0  
   63    64    65    66    67    68    72    73    74    77  
   64    65    66    67    68    73    77  
   65    66    67    77  
   66    67    68    69    70    73    77  
   67    68    77  
   68    69    70    71    72    73    74    77  
   69    70    71    72    73    77    75  
   70    71    72    77  
   71    72    73    74    77    75    76  
   72    73    75  
   73    74    77    75    76  
   74    77    75    76  
   77    75  
   76    77  
    0  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   66   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.076700   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   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
   77   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   295.000  1.494
   62    63   520.000  1.370
   62    77   380.000  1.440
   63    64   367.000  1.080
   63    65   427.000  1.381
   65    66   434.000  1.010
   65    67   428.000  1.380
   67    68   469.000  1.400
   67    77   447.000  1.419
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    75   450.000  1.364
   73    74   367.000  1.080
   73    77   469.000  1.404
   75    76   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    55    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    55    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    60    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    60    61    35.00000  120.00000
   60    38    42    63.00000  120.00000
   60    55    56    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  119.80000
   44    48    52    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    57    70.00000  110.72300
   52    48    49    38.00000  118.40000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    62    70.00000  112.62400
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    62    63    55.00000  127.77900
   57    62    77    55.00000  128.73000
   59    57    58    33.00000  107.80000
   62    57    58    45.00000  111.11700
   62    57    59    45.00000  111.11700
   62    63    64    35.00000  130.70000
   62    63    65    70.00000  106.30000
   62    77    67    80.00000  107.43600
   62    77    73    50.00000  134.85500
   63    65    66    35.00000  120.00000
   63    65    67    90.00000  107.14200
   65    63    64    35.00000  121.60000
   65    67    68    70.00000  132.80000
   65    67    77    70.00000  104.40000
   67    65    66    35.00000  123.10000
   67    68    69    35.00000  120.00000
   67    68    70    85.00000  120.00000
   67    77    73    85.00000  116.20000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    75    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    77    63.00000  120.00000
   72    75    76    35.00000  113.00000
   77    62    63    80.00000  105.82900
   77    67    68    85.00000  122.70000
   77    73    74    35.00000  120.00000
   75    72    73    70.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    55   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   42    38    60    55   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46   -50    55   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    50    55    56   3.62500 -1.0 2.0
   46    50    55    60   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    55   -60    38   3.62500 -1.0 2.0
   50    55    60    61   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    60   3.62500 -1.0 2.0
   56    55    60    38   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    49   2.45000 -1.0 2.0
   39    44    48    52   1.49850  1.0 1.0
   39    44    48    52   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.00000  1.0 1.0
   44    48    52    57  -0.43950  1.0 1.0
   44    48    52    57  -0.08100 -1.0 2.0
   44    48    52    57   0.03350  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    52   3.04450 -1.0 2.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    62   0.08550  1.0 1.0
   48    52    57    62   1.07500 -1.0 2.0
   48    52    57    62  -0.10950  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    57   0.00000  1.0 1.0
   52    57    62    63   0.04150 -1.0 2.0
   52    57    62    77   0.04150 -1.0 2.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    62   0.43200  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    62   0.43200  1.0 3.0
   57    62    63    64   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    77    67   3.62500 -1.0 2.0
   57    62    77    73   3.62500 -1.0 2.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    77   0.00000  1.0 1.0
   59    57    62    63   0.00000  1.0 1.0
   59    57    62    77   0.00000  1.0 1.0
   62    63    65    66   1.40000 -1.0 2.0
   62    63   -65    67   3.62500 -1.0 2.0
   63    62   -77    67   3.50000 -1.0 2.0
   63    62    77    73   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65   -67    77   3.62500 -1.0 2.0
   64    63    65    66   2.00000 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    69   3.62500 -1.0 2.0
   65    67    68    70   3.62500 -1.0 2.0
   65    67   -77    62   3.00000 -1.0 2.0
   65    67    77    73   3.00000 -1.0 2.0
   66    65    67    68   1.52500 -1.0 2.0
   66    65    67    77   1.52500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    77    62   3.00000 -1.0 2.0
   68    67    77    73   3.00000 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    75   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    77   3.62500 -1.0 2.0
   70    72    75    76   0.84100 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    75   3.62500 -1.0 2.0
   72    73    77    62   3.62500 -1.0 2.0
   72    73   -77    67   3.50000 -1.0 2.0
   73    72    75    76   0.84100 -1.0 2.0
   74    73    77    62   3.62500 -1.0 2.0
   74    73    77    67   3.50000 -1.0 2.0
   77    62    63    64   3.62500 -1.0 2.0
   77    62   -63    65   3.62500 -1.0 2.0
   77    67    68    69   3.62500 -1.0 2.0
   77    67   -68    70   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    77   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   55    51    50    46   1.10000 -1.0 2.0
   60    56    55    50   1.10000 -1.0 2.0
   55    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   49    44    48    52   1.00000 -1.0 2.0
   63    77    62    57   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   66    63    65    67   1.00000 -1.0 2.0
   68    77    67    65   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    75    72    70   4.00000 -1.0 2.0
   77    74    73    72   1.10000 -1.0 2.0
   67    73    77    62   4.00000 -1.0 2.0
END
