* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    228     425
    1     0 S   NP   _N1_     1    28.67151    92.78510   -23.73716
    2     1 S   H    _HN1     2     1.02779   106.23459   -82.82132
    3     1 S   H    _H1_     3     1.02961    93.86975    27.53795
    4     1 S   H    _H2_     4     1.02838    15.12618   178.59779
    5     1 S   CT   _CA1     5     1.50117   123.70421   145.25169
    6     5 S   HC   _HA1     6     1.09575   105.23824    67.95741
    7     5 S   CO3  _C1_     7     1.53795   112.38925   -52.25249
    8     7 S   O2Z  _O11     8     1.26358   115.00889   -44.02143
    9     7 S   O2Z  _O12     9     1.26241   114.92111   135.18316
   10     5 S   CT   _CB1    10     1.53103   107.43400  -174.14502
   11    10 S   HC   HB11    11     1.09823   109.34035   -50.99658
   12    10 S   HC   HB12    12     1.09820   110.40664    65.55294
   13    10 S   CT   _CG1    13     1.53005   112.66802  -172.12401
   14    13 S   HC   HG11    14     1.09603   110.39537   -63.35136
   15    13 S   HC   HG12    15     1.09649   110.02482    55.85821
   16    13 S   C    _CD1    16     1.51817   112.34884   176.21038
   17    16 S   O    _OE1    17     1.22716   123.27888    -3.92994
   18    16 S   N    _N2_    18     1.38622   111.59950   176.31772
   19    18 S   H    _HN2    19     1.01584   118.99298     1.37615
   20    18 S   CT1  _CA2    20     1.46187   123.42153  -179.28127
   21    20 S   HC   _HA2    21     1.09729   109.44960    -9.45550
   22    20 S   C    _C2_    22     1.53423   108.29059  -125.18372
   23    22 S   O    _O2_    23     1.23022   122.24446  -144.60582
   24    20 S   CT   _CB2    32     1.53352   111.44794   112.67598
   25    24 S   HC   HB21    33     1.09602   109.80590    55.16479
   26    24 S   HC   HB22    34     1.09407   110.20153   174.28115
   27    22 S   N    _N3_    24     1.38508   113.38217    42.64889
   28    27 S   H    _HN3    25     1.01518   118.94505    -0.46855
   29    24 S   S    _SG2    35     1.82576   111.91085   -65.84211
   30    27 S   CT   _CA3    26     1.45448   123.40031   175.18468
   31    30 S   HC   HA31    27     1.09526   109.19709    25.29880
   32    30 S   HC   HA32    28     1.09496   107.13461   142.29237
   33    29 S   CT   _C14    36     1.85344    99.76332   172.84311
   34    33 S   HC   _H6_    37     1.08815   106.14130   -10.71430
   35    30 S   CO3  _C3_    29     1.52926   113.12553   -98.15117
   36    35 S   O2Z  _O31    30     1.26401   115.40274   -44.67245
   37    35 S   O2Z  _O32    31     1.26356   114.98318   136.25762
   38    33 S   CT   _C13    38     1.55226   107.34853   107.23841
   39    38 S   HC   _H16    39     1.09264   110.65707   147.24982
   40    38 S   HC   _H17    40     1.09825   111.00103    32.39792
   41    33 S   CT   _C5_    64     1.56672   112.37326  -126.55870
   42    38 S   CT   _C12    41     1.54226   114.80124   -91.14436
   43    42 S   HC   _H14    42     1.09574   109.40288    67.07751
   44    42 S   HC   _H15    43     1.09738   108.37233  -177.88289
   45    41 S   CT   _C4_    65     1.53893   113.12641    50.42526
   46    45 S   HC   _H7_    66     1.09506   111.90721   -70.16640
   47    45 S   HC   _H8_    67     1.09664   110.60481   172.79345
   48    45 S   HC   _H9_    68     1.09445   111.87580    52.26453
   49    41 S   OH   _O36    69     1.43626   107.80783   -68.60916
   50    49 S   HO   _H23    70     0.97251   108.13617   175.94947
   51    42 S   C3T  _C11    44     1.51091   113.00314   -56.40926
   52    51 S   C3T  _C10    45     1.53100   116.88965   -53.14024
   53    52 S   HC   _H5_    46     1.08138   121.29476    -5.10008
   54    51 S   CT   _C15    72     1.50558   116.75928   108.24084
   55    54 S   HC   _H18    73     1.09574   111.92423   157.74054
   56    54 S   HC   _H19    74     1.09504   110.73228    38.72452
   57    54 S   HC   _H20    75     1.09261   111.34807   -81.73403
   58    52 S   CT   _C9_    47     1.49042   119.74999   145.94219
   59    58 S   HC   _H4_    48     1.09724   111.00778     5.31699
   60    51 S   O3T  _O33    71     1.43940   116.81383  -118.19583
   61    58 S   CT   _C8_    49     1.53193   112.62054  -119.39841
   62    61 S   HC   _H3_    50     1.09961   110.33654   -50.24634
   63    61 S   CM   _C17    51     1.49321    97.38826  -159.97725
   64    61 S   CT   _C7_    58     1.54117   113.02848    73.04139
   65    64 S   HC   _H12    59     1.09580   110.75687   141.07530
   66    64 S   HC   _H13    60     1.09440   109.87237    24.54840
   67    63 S   CO4  _C16    52     1.48614   107.17613    31.29242
   68    67 S   O    _O35    53     1.21710   127.16390   165.47394
   69    63 S   CM   _C18    55     1.33499   131.17178  -147.86869
   70    69 S   HC   _H21    56     1.08397   121.55813    -0.99485
   71    69 S   HC   _H22    57     1.08556   121.45145   179.47735
   72    64 S   CT   _C6_    61     1.54484   111.56265   -99.66725
   73    72 S   HC   _H10    62     1.10026   107.43028   -96.60886
   74    72 S   HC   _H11    63     1.09392   111.03125    14.95404
   75    58 S   OS   _O34    54     1.43667   111.31635   123.83893
  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  10   5   4   3
  19   8   2   1   1  13   6   5  14  11   5   4   9   4   3   2
   5   1  11  14   6   5   3   2   1  13   7   2  14   8  10   8
   4   3   5   2   3   1   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    72    41    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    51    64    72    73    74    41    45    46    47    48    49    50  
   38    39    40    42    72    41    45    49  
   36    37  
   37  
    0  
   39    40    42    43    44    51    52    72    41    45    49    60    54  
   40    42    43    44    51    41  
   42    43    44    51    41  
   45    46    47    48    49    50    42    61    64    65    66    72    73    74  
   43    44    51    52    53    58    60    54    55    56    57  
   44    51    52    60    54  
   51    52    60    54  
   46    47    48    49    50    64    72    73    74  
   47    48    49    72  
   48    49    72  
   49    72  
   50    64    72    73    74  
   72  
   52    53    58    59    61    75    60    54    55    56    57  
   53    58    59    61    62    63    67    75    64    60    54    55    56    57  
   58    59    61    75    60    54  
   55    56    57    58    60  
   56    57    60  
   57    60  
   60  
   59    61    62    63    67    68    75    69    64    65    66    72    60  
   61    62    63    67    75    64    60  
   61    75  
   62    63    67    68    75    69    70    71    64    65    66    72    73    74  
   63    67    75    69    64    65    66    72  
   67    68    75    69    70    71    64    65    66    72  
   65    66    72    73    74    67    69    75  
   66    72    73    74  
   72    73    74  
   68    75    69    70    71  
   75    69  
   70    71    75  
   71  
    0  
   73    74  
   74  
    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   0.107500   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   275.000  1.510
   51    52   260.000  1.509
   51    60   335.000  1.432
   51    54   275.000  1.510
   52    53   340.000  1.088
   52    58   275.000  1.510
   52    60   335.000  1.432
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    75   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   268.000  1.529
   63    67   320.000  1.462
   63    69   549.000  1.340
   67    68   570.000  1.229
   67    75   214.000  1.327
   69    70   340.000  1.080
   69    71   340.000  1.080
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    41   268.000  1.529
   41    45   268.000  1.529
   41    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    72    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    51    70.00000  112.37300
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    51    52    60.00000  120.94000
   42    51    60    80.00000  116.47100
   42    51    54    58.35000  112.70000
   44    42    43    33.00000  107.80000
   51    42    43    45.00000  109.38400
   51    42    44    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    58    60.00000  120.94000
   51    52    60    15.00000   60.43100
   51    60    52    15.00000   59.14900
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    45.00000  109.38400
   52    58    61    70.00000  112.37300
   52    58    75    50.00000  109.50000
   58    52    53    40.00000  115.04500
   58    61    62    37.50000  110.70000
   58    61    63    70.00000  112.02700
   58    61    64    58.35000  112.70000
   58    75    67    83.00000  116.90000
   61    58    59    37.50000  110.70000
   61    63    67    65.00000  116.34900
   61    63    69    70.00000  124.00000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    72    58.35000  112.70000
   63    61    62    35.00000  109.50000
   63    67    68    80.00000  123.72100
   63    67    75    90.00000  111.29400
   63    69    70    35.00000  120.00000
   63    69    71    35.00000  120.00000
   75    58    59    35.00000  109.50000
   75    58    61    50.00000  109.50000
   75    67    68    83.00000  123.40000
   69    63    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   64    61    62    37.50000  110.70000
   64    61    63    70.00000  112.02700
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    41    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    41    45    58.35000  112.70000
   72    41    49    50.00000  109.50000
   74    72    73    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    72    73    37.50000  110.70000
   41    72    74    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    50.00000  109.50000
   60    51    52    15.00000   60.43100
   60    52    53    50.00000  114.27700
   60    52    58    80.00000  116.47100
   54    51    52    60.00000  120.94000
   54    51    60    80.00000  116.47100
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    72   0.44750  1.0 1.0
   29    33    41    72  -0.17800 -1.0 2.0
   29    33    41    72   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    51   0.47050  1.0 1.0
   33    38    42    51   0.03900 -1.0 2.0
   33    38    42    51   0.20100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    72   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    72   0.56750  1.0 1.0
   38    33    41    72  -0.07550 -1.0 2.0
   38    33    41    72   0.20000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    42    51    52   0.07850  1.0 1.0
   38    42    51    52  -0.03950 -1.0 2.0
   38    42    51    52   0.67350  1.0 3.0
   38    42    51    60   0.02550  1.0 1.0
   38    42    51    60  -0.02600 -1.0 2.0
   38    42    51    60   1.20400  1.0 3.0
   38    42    51    54   0.56750  1.0 1.0
   38    42    51    54  -0.07550 -1.0 2.0
   38    42    51    54   0.20000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    51   0.15000  1.0 3.0
   42    51    52    53   0.15000  1.0 3.0
   42    51    52    58   0.56750  1.0 1.0
   42    51    52    58  -0.07550 -1.0 2.0
   42    51    52    58   0.20000  1.0 3.0
   42    51   -52    60   0.02550  1.0 1.0
   42    51   -52    60  -0.02600 -1.0 2.0
   42    51   -52    60   1.20400  1.0 3.0
   42    51   -60    52   0.06250  1.0 1.0
   42    51   -60    52  -0.01100 -1.0 2.0
   42    51   -60    52   0.28050  1.0 3.0
   42    51    54    55   0.15000  1.0 3.0
   42    51    54    56   0.15000  1.0 3.0
   42    51    54    57   0.15000  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    60   0.23400  1.0 3.0
   43    42    51    54   0.15000  1.0 3.0
   44    42    51    52   0.15000  1.0 3.0
   44    42    51    60   0.23400  1.0 3.0
   44    42    51    54   0.15000  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    61   0.07850  1.0 1.0
   51    52    58    61  -0.03950 -1.0 2.0
   51    52    58    61   0.67350  1.0 3.0
   51    52    58    75  -0.26800  1.0 1.0
   51    52    58    75   0.69150 -1.0 2.0
   51    52    58    75  -0.48750  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.34400  1.0 1.0
   52    58    61    63   0.09450 -1.0 2.0
   52    58    61    63   0.11100  1.0 3.0
   52    58    61    64   0.47050  1.0 1.0
   52    58    61    64   0.03900 -1.0 2.0
   52    58    61    64   0.20100  1.0 3.0
   52    58    75    67  -0.25900  1.0 1.0
   52    58    75    67  -0.47000 -1.0 2.0
   52    58    75    67   0.11750  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    58    75   0.23400  1.0 3.0
   53    52   -60    51   0.36800  1.0 3.0
   58    52   -60    51   0.06250  1.0 1.0
   58    52   -60    51  -0.01100 -1.0 2.0
   58    52   -60    51   0.28050  1.0 3.0
   58    61   -63    67   0.09700  1.0 1.0
   58    61   -63    67   0.15600 -1.0 2.0
   58    61   -63    67  -0.50800  1.0 3.0
   58    61    63    69   0.09850  1.0 1.0
   58    61    63    69   0.15250 -1.0 2.0
   58    61    63    69  -0.50650  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    72   0.56750  1.0 1.0
   58    61    64    72  -0.07550 -1.0 2.0
   58    61    64    72   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    75    67   0.08050  1.0 3.0
   61    58   -75    67  -0.25900  1.0 1.0
   61    58   -75    67  -0.47000 -1.0 2.0
   61    58   -75    67   0.11750  1.0 3.0
   61    63    67    68  -0.64400  1.0 1.0
   61    63    67    68   0.26850 -1.0 2.0
   61    63   -67    75  -0.15000  1.0 1.0
   61    63   -67    75   0.89550 -1.0 2.0
   61    63   -67    75  -0.06900  1.0 3.0
   61    63    69    70   7.00000 -1.0 2.0
   61    63    69    71   7.00000 -1.0 2.0
   61    64    72    73   0.15000  1.0 3.0
   61    64    72    74   0.15000  1.0 3.0
   61    64    72    41   0.56750  1.0 1.0
   61    64    72    41  -0.07550 -1.0 2.0
   61    64    72    41   0.20000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    69   0.00000  1.0 1.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    72   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    72   0.34400  1.0 1.0
   63    61    64    72   0.09450 -1.0 2.0
   63    61    64    72   0.11100  1.0 3.0
   63    67   -75    58   2.00000 -1.0 2.0
   67    63    69    70   7.00000 -1.0 2.0
   67    63    69    71   7.00000 -1.0 2.0
   68    67    75    58   3.00000 -1.0 2.0
   75    58    61    62   0.23400  1.0 3.0
   75    58   -61    63   0.61850  1.0 1.0
   75    58   -61    63  -0.22750 -1.0 2.0
   75    58   -61    63   0.15300  1.0 3.0
   75    58    61    64   0.62750  1.0 1.0
   75    58    61    64  -0.30950 -1.0 2.0
   75    58    61    64   0.27300  1.0 3.0
   69    63    67    68   1.00000 -1.0 2.0
   69    63    67    75  -0.56150  1.0 1.0
   69    63    67    75   2.19150 -1.0 2.0
   64    61    63    67   0.09700  1.0 1.0
   64    61    63    67   0.15600 -1.0 2.0
   64    61    63    67  -0.50800  1.0 3.0
   64    61    63    69   0.09850  1.0 1.0
   64    61    63    69   0.15250 -1.0 2.0
   64    61    63    69  -0.50650  1.0 3.0
   64    72    41    33   0.56750  1.0 1.0
   64    72    41    33  -0.07550 -1.0 2.0
   64    72    41    33   0.20000  1.0 3.0
   64    72    41    45   0.56750  1.0 1.0
   64    72    41    45  -0.07550 -1.0 2.0
   64    72    41    45   0.20000  1.0 3.0
   64    72    41    49   0.86500  1.0 1.0
   64    72    41    49  -0.17500 -1.0 2.0
   64    72    41    49   0.20800  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    41   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    74   0.15000  1.0 3.0
   66    64    72    41   0.15000  1.0 3.0
   72    41    45    46   0.15000  1.0 3.0
   72    41    45    47   0.15000  1.0 3.0
   72    41    45    48   0.15000  1.0 3.0
   72    41    49    50  -0.11600  1.0 1.0
   72    41    49    50  -0.09450 -1.0 2.0
   72    41    49    50   0.21250  1.0 3.0
   73    72    41    33   0.15000  1.0 3.0
   73    72    41    45   0.15000  1.0 3.0
   73    72    41    49   0.23400  1.0 3.0
   74    72    41    33   0.15000  1.0 3.0
   74    72    41    45   0.15000  1.0 3.0
   74    72    41    49   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50  -0.11600  1.0 1.0
   45    41    49    50  -0.09450 -1.0 2.0
   45    41    49    50   0.21250  1.0 3.0
   49    41    45    46   0.23400  1.0 3.0
   49    41    45    47   0.23400  1.0 3.0
   49    41    45    48   0.23400  1.0 3.0
   60    51   -52    53   0.23400  1.0 3.0
   60    51   -52    58   0.02550  1.0 1.0
   60    51   -52    58  -0.02600 -1.0 2.0
   60    51   -52    58   1.20400  1.0 3.0
   60    51    54    55   0.23400  1.0 3.0
   60    51    54    56   0.23400  1.0 3.0
   60    51    54    57   0.23400  1.0 3.0
   60    52    58    59   0.23400  1.0 3.0
   60    52    58    61   0.02550  1.0 1.0
   60    52    58    61  -0.02600 -1.0 2.0
   60    52    58    61   1.20400  1.0 3.0
   60    52    58    75   1.11900  1.0 1.0
   60    52    58    75  -1.16350 -1.0 2.0
   60    52    58    75  -0.34150  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51   -52    60   0.02550  1.0 1.0
   54    51   -52    60  -0.02600 -1.0 2.0
   54    51   -52    60   1.20400  1.0 3.0
   54    51   -60    52   0.06250  1.0 1.0
   54    51   -60    52  -0.01100 -1.0 2.0
   54    51   -60    52   0.28050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   61    67    63    69   1.10000 -1.0 2.0
   63    75    67    68  10.50000 -1.0 2.0
   70    71    69    63   1.10000 -1.0 2.0
END
