* LIGAND DATABASE FILE (OPLS2005)
*
001      76    75    134    193     390
    1     0 S   NP   _N1_     1    29.62056    91.43393   -22.61929
    2     1 S   H    _HN1     2     1.02753   103.67680   -59.86287
    3     1 S   H    _H1_     3     1.03547   103.41691    51.55544
    4     1 S   H    _H2_     4     1.02733     7.36370   171.92112
    5     1 S   CT   _CA1     5     1.50023   118.75424   174.97909
    6     5 S   HC   _HA1     6     1.09594   105.10337    64.16348
    7     5 S   CO3  _C1_     7     1.53777   112.67920   -55.68370
    8     7 S   O2Z  _O11     8     1.26283   115.36709   -47.39560
    9     7 S   O2Z  _O12     9     1.26332   114.77596   131.69721
   10     5 S   CT   _CB1    10     1.52994   107.22891  -178.32170
   11    10 S   HC   HB11    11     1.09811   109.09601   -51.12177
   12    10 S   HC   HB12    12     1.09796   110.40956    65.19297
   13    10 S   CT   _CG1    13     1.53065   113.08842  -172.78915
   14    13 S   HC   HG11    14     1.09539   110.11526   -62.11153
   15    13 S   HC   HG12    15     1.09585   110.57844    57.08904
   16    13 S   C    _CD1    16     1.51793   110.95923   176.39799
   17    16 S   O    _OE1    17     1.22863   122.51594   -33.40791
   18    16 S   N    _N2_    18     1.38540   112.68194   147.73533
   19    18 S   H    _HN2    19     1.01549   119.52065     2.14785
   20    18 S   CT1  _CA2    20     1.46179   122.81208  -176.71032
   21    20 S   HC   _HA2    21     1.09744   109.14416    -8.22414
   22    20 S   C    _C2_    22     1.53371   108.98185  -123.83400
   23    22 S   O    _O2_    23     1.23056   122.32812  -149.84075
   24    20 S   CT   _CB2    32     1.53677   111.98117   113.10598
   25    24 S   HC   HB21    33     1.09569   109.79183    62.36403
   26    24 S   HC   HB22    34     1.09363   109.15427  -179.09669
   27    22 S   N    _N3_    24     1.38378   113.61987    37.81043
   28    27 S   H    _HN3    25     1.01650   119.46823    -3.91036
   29    24 S   S    _SG2    35     1.83330   111.46637   -58.09045
   30    27 S   CT   _CA3    26     1.45286   122.98812   176.77493
   31    30 S   HC   HA31    27     1.09558   107.56688   -62.38526
   32    30 S   HC   HA32    28     1.09563   107.86382    53.96144
   33    29 S   CT   _C5_    36     1.85183   102.56092  -168.10297
   34    33 S   OM   _O33    37     1.31658   110.69811   -52.72536
   35    30 S   CO3  _C3_    29     1.52898   114.27475   175.93904
   36    35 S   O2Z  _O31    30     1.26341   116.09852    -0.19881
   37    35 S   O2Z  _O32    31     1.26441   114.38861   179.84051
   38    33 S   CT   _C4_    38     1.53548   110.97718    68.43638
   39    38 S   HC   _H3_    39     1.09639   112.25233    51.63231
   40    38 S   HC   _H4_    40     1.09910   111.88637   172.24187
   41    38 S   HC   _H5_    41     1.09797   112.64000   -68.61290
   42    33 S   S    _S1_    42     1.86129   108.40000  -170.17011
   43    42 S   CT   _C6_    43     1.83413   102.20028   -67.72931
   44    43 S   HC   _H6_    44     1.09286   109.60548    45.72128
   45    43 S   HC   _H7_    45     1.09469   107.92513   -71.83151
   46    43 S   CT1  _C7_    46     1.53728   112.51929   167.40848
   47    46 S   HC   _H8_    47     1.09790   108.21703  -179.66312
   48    46 S   C    _C8_    48     1.53165   113.00850   -60.80772
   49    48 S   O    _O34    49     1.23034   122.72871   110.91427
   50    46 S   N    _N5_    58     1.45854   112.34842    62.37587
   51    50 S   H    _H12    59     1.01635   117.45774   -96.68405
   52    48 S   N    _N4_    50     1.38482   113.01445   -68.82482
   53    52 S   H    _H9_    51     1.01619   120.43834    -0.38816
   54    50 S   C    _C11    60     1.38478   122.97918    81.07968
   55    54 S   O    _O37    61     1.22760   124.82511     0.82472
   56    52 S   CT   _C9_    52     1.45392   122.29691   178.69119
   57    56 S   HC   _H10    53     1.09578   107.39514   -64.26765
   58    56 S   HC   _H11    54     1.09564   108.01457    52.05034
   59    54 S   CT   _C12    62     1.51906   111.79670  -179.68472
   60    59 S   HC   _H13    63     1.09585   107.98350    58.02994
   61    59 S   HC   _H14    64     1.09567   107.53744   -58.29198
   62    56 S   CO3  _C10    55     1.52783   114.53226   174.14372
   63    62 S   O2Z  _O36    56     1.26274   116.28975    -1.95725
   64    62 S   O2Z  _O35    57     1.26563   114.47749   177.84015
   65    59 S   CT   _C13    65     1.53120   112.17613   179.94405
   66    65 S   HC   _H15    66     1.09837   109.09798    58.29907
   67    65 S   HC   _H16    67     1.09786   108.96470   -56.50970
   68    65 S   CT   _C14    68     1.53239   114.43369  -179.12240
   69    68 S   HC   _H17    69     1.09706   108.22692  -178.05067
   70    68 S   CO3  _C15    70     1.54130   114.62106    63.74265
   71    70 S   O2Z  _O39    71     1.26168   115.75741    38.38611
   72    70 S   O2Z  _O38    72     1.26472   114.65476  -142.51232
   73    68 S   NP   _N6_    73     1.50050   108.94839   -65.12052
   74    73 S   H    _H18    74     1.02797   111.48562    68.34483
   75    73 S   H    _H19    75     1.02760   112.41712   -53.88482
   76    73 S   H    _H20    76     1.02931   109.73375  -174.13325
  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
  10   6   2   1   1   5   3   2   1   7  10   5   4  11   6  10
   4   8   3   7   4   8   4   5   4   3   9   5   4   2   1   1
  11   5   4   8   7   6   2   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    48    50  
   44    45    46    47    48    49    52    50    51    54  
   45    46    47    48    50  
   46    47    48    50  
   47    48    49    52    53    56    50    51    54    55    59  
   48    49    52    50    51    54  
   49    52    53    56    57    58    62    50    51    54  
   52    53    56    50  
   51    54    55    59    60    61    65    52  
   54    55    59  
   53    56    57    58    62    63    64  
   56    57    58    62  
   55    59    60    61    65    66    67    68  
   59    60    61    65  
   57    58    62    63    64  
   58    62    63    64  
   62    63    64  
   60    61    65    66    67    68    69    70    73  
   61    65    66    67    68  
   65    66    67    68  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    73    74    75    76  
   67    68    69    70    73  
   68    69    70    73  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   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  -0.005000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   71   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   72   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   73   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   74   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.210000   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   268.000  1.529
   33    42   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   317.000  1.522
   46    50   337.000  1.449
   48    49   570.000  1.229
   48    52   490.000  1.335
   52    53   434.000  1.010
   52    56   337.000  1.449
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   50    51   434.000  1.010
   50    54   490.000  1.335
   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    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.522
   68    73   367.000  1.471
   70    71   656.000  1.250
   70    72   656.000  1.250
   73    74   434.000  1.010
   73    75   434.000  1.010
   73    76   434.000  1.010
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  111.63000
   29    33    42    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    85.00000  114.68000
   42    33    38    75.00000  111.63000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    75.00000  108.68000
   43    46    47    37.50000  110.70000
   43    46    48    63.00000  111.10000
   43    46    50    80.00000  109.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    80.00000  120.40000
   46    48    52    70.00000  116.60000
   46    50    51    38.00000  118.40000
   46    50    54    50.00000  121.90000
   48    46    47    35.00000  109.50000
   48    52    53    35.00000  119.80000
   48    52    56    50.00000  121.90000
   52    48    49    80.00000  122.90000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    62    63.00000  110.10000
   56    52    53    38.00000  118.40000
   56    62    63    70.00000  117.00000
   56    62    64    70.00000  117.00000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   64    62    63    80.00000  126.00000
   50    46    47    35.00000  109.50000
   50    46    48    63.00000  110.10000
   50    54    55    80.00000  122.90000
   50    54    59    70.00000  116.60000
   54    50    51    35.00000  119.80000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    65    63.00000  111.10000
   59    54    55    80.00000  120.40000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    70.00000  109.69300
   65    68    73    80.00000  111.20000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    70.00000  117.00000
   68    70    72    70.00000  117.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   70    68    69    35.00000  109.50000
   72    70    71    80.00000  126.00000
   73    68    69    35.00000  109.50000
   73    68    70    80.00000  109.26000
   75    73    74    35.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
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   0.01700  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    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.08500  1.0 1.0
   29    33    42    43  -0.53150 -1.0 2.0
   29    33    42    43   0.48050  1.0 3.0
   33    42    43    44   0.32350  1.0 3.0
   33    42    43    45   0.32350  1.0 3.0
   33    42    43    46   0.01700  1.0 1.0
   33    42    43    46  -0.23550 -1.0 2.0
   33    42    43    46   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43   0.13850  1.0 1.0
   34    33    42    43  -1.34450 -1.0 2.0
   34    33    42    43   0.57400  1.0 3.0
   38    33    42    43   0.01700  1.0 1.0
   38    33    42    43  -0.23550 -1.0 2.0
   38    33    42    43   0.21350  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    46    47   0.15000  1.0 3.0
   42    43    46    48  -2.17200  1.0 1.0
   42    43    46    48  -0.85700 -1.0 2.0
   42    43    46    50   0.71400  1.0 1.0
   42    43    46    50   0.04300 -1.0 2.0
   42    43    46    50   0.01450  1.0 3.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    52   0.93250  1.0 1.0
   43    46    48    52   0.04450 -1.0 2.0
   43    46    48    52   0.17550  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    54   0.25950  1.0 1.0
   43    46    50    54   0.43850 -1.0 2.0
   43    46    50    54   2.61650  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48  -0.03800  1.0 3.0
   44    43    46    50   0.23200  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48  -0.03800  1.0 3.0
   45    43    46    50   0.23200  1.0 3.0
   46    48    52    53   2.45000 -1.0 2.0
   46    48    52    56   1.15000  1.0 1.0
   46    48    52    56   3.04450 -1.0 2.0
   46    50    54    55   3.04450 -1.0 2.0
   46    50    54    59   1.15000  1.0 1.0
   46    50    54    59   3.04450 -1.0 2.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    52   0.00000  1.0 1.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    54   0.00000  1.0 1.0
   48    46    50    51   0.00000  1.0 1.0
   48    46    50    54  -0.29800  1.0 1.0
   48    46    50    54   0.13950 -1.0 2.0
   48    46    50    54  -2.45650  1.0 3.0
   48    52    56    57   0.00000  1.0 1.0
   48    52    56    58   0.00000  1.0 1.0
   48    52    56    62  -0.29800  1.0 1.0
   48    52    56    62   0.13950 -1.0 2.0
   48    52    56    62  -2.45650  1.0 3.0
   49    48    52    53   2.45000 -1.0 2.0
   49    48    52    56   3.04450 -1.0 2.0
   52    56    62    63   0.00000  1.0 1.0
   52    56    62    64   0.00000  1.0 1.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    58   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   58    56    62    63   0.00000  1.0 1.0
   58    56    62    64   0.00000  1.0 1.0
   50    46    48    49   0.00000  1.0 1.0
   50    46    48    52   0.37150  1.0 1.0
   50    46    48    52   1.25400 -1.0 2.0
   50    46    48    52  -0.40250  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    65   1.39750  1.0 1.0
   50    54    59    65  -0.07950 -1.0 2.0
   50    54    59    65  -0.18750  1.0 3.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    59   2.45000 -1.0 2.0
   54    59    65    66  -0.11250  1.0 3.0
   54    59    65    67  -0.11250  1.0 3.0
   54    59    65    68  -0.95700  1.0 1.0
   54    59    65    68  -0.18200 -1.0 2.0
   54    59    65    68   0.29450  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    65   0.30150 -1.0 2.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70  -1.63150  1.0 1.0
   59    65    68    70  -0.43550 -1.0 2.0
   59    65    68    70   0.24500  1.0 3.0
   59    65    68    73   1.36600  1.0 1.0
   59    65    68    73  -0.11450 -1.0 2.0
   59    65    68    73   0.24250  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    68   0.15000  1.0 3.0
   65    68    70    71   0.41150 -1.0 2.0
   65    68    70    72   0.41150 -1.0 2.0
   65    68    73    74   0.17350  1.0 3.0
   65    68    73    75   0.17350  1.0 3.0
   65    68    73    76   0.17350  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70  -0.11250  1.0 3.0
   66    65    68    73   0.19200  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70  -0.11250  1.0 3.0
   67    65    68    73   0.19200  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    73    74   0.13050  1.0 3.0
   69    68    73    75   0.13050  1.0 3.0
   69    68    73    76   0.13050  1.0 3.0
   70    68    73    74   0.17350  1.0 3.0
   70    68    73    75   0.17350  1.0 3.0
   70    68    73    76   0.17350  1.0 3.0
   73    68    70    71   0.30150 -1.0 2.0
   73    68    70    72   0.30150 -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
   46    52    48    49  10.50000 -1.0 2.0
   53    48    52    56   1.00000 -1.0 2.0
   63    56    62    64  10.50000 -1.0 2.0
   51    54    50    46   1.00000 -1.0 2.0
   50    59    54    55  10.50000 -1.0 2.0
   71    68    70    72  10.50000 -1.0 2.0
END
