* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    230     431
    1     0 S   NP   _N1_     1    28.51377    92.43273   -22.65521
    2     1 S   H    _HN1     2     1.02944    98.92737   -24.13455
    3     1 S   H    _H1_     3     1.02854    27.36064    86.19589
    4     1 S   H    _H2_     4     1.02795    86.41443  -132.01583
    5     1 S   CT   _CA1     5     1.50084   136.61251   109.12520
    6     5 S   HC   _HA1     6     1.09583   105.26747    48.61254
    7     5 S   CO3  _C1_     7     1.53871   112.02674   -71.48680
    8     7 S   O2Z  _O11     8     1.26405   115.21655   -55.10623
    9     7 S   O2Z  _O12     9     1.26214   114.86846   123.98400
   10     5 S   CT   _CB1    10     1.53091   107.40450   166.25294
   11    10 S   HC   HB11    11     1.09828   109.61691   -51.55692
   12    10 S   HC   HB12    12     1.09736   110.21876    64.78490
   13    10 S   CT   _CG1    13     1.53043   112.52784  -172.47480
   14    13 S   HC   HG11    14     1.09614   110.57487   -58.77680
   15    13 S   HC   HG12    15     1.09637   109.86376    60.36991
   16    13 S   C    _CD1    16     1.51812   112.34186  -178.73622
   17    16 S   O    _OE1    17     1.22763   123.29615     3.63970
   18    16 S   N    _N2_    18     1.38558   111.79471  -177.28452
   19    18 S   H    _HN2    19     1.01553   119.27579     5.45779
   20    18 S   CT1  _CA2    20     1.45752   122.71118  -177.43372
   21    20 S   HC   _HA2    21     1.09579   108.27945    28.20699
   22    20 S   C    _C2_    22     1.52928   107.61288   -88.48335
   23    22 S   O    _O2_    23     1.22957   123.11509   -25.48153
   24    20 S   CT   _CB2    32     1.53410   112.50544   151.30529
   25    24 S   HC   HB21    33     1.09663   109.64374    65.78936
   26    24 S   HC   HB22    34     1.09564   111.08965  -176.83368
   27    22 S   N    _N3_    24     1.38503   112.45402   157.20289
   28    27 S   H    _HN3    25     1.01651   120.35727    -2.38113
   29    24 S   S    _SG2    35     1.82551   113.92689   -53.37458
   30    27 S   CT   _CA3    26     1.45353   122.53771   178.59779
   31    30 S   HC   HA31    27     1.09565   107.82976   -55.48124
   32    30 S   HC   HA32    28     1.09559   107.61286    60.88194
   33    29 S   CT   _C18    36     1.82320   100.19415   -71.75957
   34    33 S   HC   _H21    37     1.09446   107.64471   -83.20953
   35    33 S   HC   _H22    38     1.09166   111.05573    33.34025
   36    30 S   CO3  _C3_    29     1.52900   114.24985  -177.40158
   37    36 S   O2Z  _O31    30     1.26347   116.02905    -0.54393
   38    36 S   O2Z  _O32    31     1.26426   114.42908   179.42699
   39    33 S   CM   _C17    39     1.50183   109.69011   154.78851
   40    39 S   CMA  _C16    40     1.34930   127.57528   108.54295
   41    40 S   OM   _O36    41     1.26281   128.12814     1.34319
   42    40 S   OS   _O35    42     1.41946   109.44792  -179.24515
   43    42 S   CT   _C9_    43     1.44562   106.28649    16.36423
   44    43 S   HC   _H5_    44     1.10207   105.36925    86.01792
   45    39 S   CT   _C8_    45     1.50394   120.92862   -72.64659
   46    45 S   HC   _H4_    46     1.09643   110.05626    49.17489
   47    43 S   CT   _C10    64     1.54897   110.25023  -157.15394
   48    45 S   CT   _C7_    47     1.53450   111.97528   -72.41534
   49    48 S   HC   _H11    48     1.09748   108.76063    45.91117
   50    48 S   HC   _H12    49     1.09317   112.00450   -69.87956
   51    47 S   CT   _C15    65     1.54037   112.88853    27.43836
   52    51 S   HC   _H18    66     1.09101   112.41941    51.80303
   53    51 S   HC   _H19    67     1.09753   111.30095   -67.43745
   54    51 S   HC   _H20    68     1.09453   112.28592   174.26595
   55    48 S   CT   _C6_    50     1.52943   113.18816   163.18382
   56    55 S   HC   _H9_    51     1.09824   108.16490  -161.14781
   57    55 S   HC   _H10    52     1.09607   108.57217   -47.60110
   58    55 S   CT   _C5_    53     1.54009   116.94159    75.99869
   59    58 S   HC   _H3_    54     1.10114   104.39326  -168.70295
   60    58 S   CT   _C11    55     1.54995   113.41285   -54.27473
   61    58 S   CT   _C4_    71     1.53197   110.27930    79.77798
   62    61 S   HC   _H6_    72     1.09075   112.95409   -55.29010
   63    61 S   HC   _H7_    73     1.09240   112.30716  -178.82830
   64    61 S   HC   _H8_    74     1.09688   109.67032    62.96640
   65    60 S   CT   _C12    56     1.53936   113.25487  -170.54720
   66    65 S   HC   _H13    57     1.09547   112.61077    67.56925
   67    65 S   HC   _H14    58     1.09397   112.42257   -54.62962
   68    60 S   OH   _O34    69     1.44608   106.61432   -54.81978
   69    68 S   HO   _H17    70     0.97631   108.31863   -56.12303
   70    65 S   CT   _C13    59     1.52365   104.32181  -172.96123
   71    70 S   HC   _H15    60     1.09376   111.65631   -86.18819
   72    70 S   HC   _H16    61     1.09227   111.67648   149.36181
   73    70 S   CO4  _C14    62     1.50807   102.42847    30.38859
   74    73 S   O    _O33    63     1.22655   122.42254   171.25048
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  19   7  12   5  20   9
   5   4  10   4   3   2  11   5   4  13   7  14   5   2   1   1
   9   6   5   3   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    48  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49    50    55    47  
   41    42    43    44    45    46    48    47  
   42    43    45  
   43    44    45    46    48    60    73    47    51  
   44    45    46    48    49    50    55    58    60    65    70    73    74    47    51    52    53    54    68  
   45    46    48    60    73    47    51  
   46    48    49    50    55    56    57    58    60    73    47    51  
   48    49    50    55    47  
   51    52    53    54    68    69    61    48    55    58    59    60    65    66    67    70    71    72    73    74  
   49    50    55    56    57    58    59    60    61  
   50    55    56    57    58  
   55    56    57    58  
   52    53    54    68    58    60    65    70    73    74  
   53    54    60    73  
   54    60    73  
   60    73  
   56    57    58    59    60    65    68    61    62    63    64  
   57    58    59    60    61  
   58    59    60    61  
   59    60    65    66    67    70    73    68    69    61    62    63    64  
   60    65    68    61    62    63    64  
   65    66    67    70    71    72    73    74    68    69    61    62    63    64  
   62    63    64    65    68  
   63    64  
   64  
    0  
   66    67    70    71    72    73    74    68    69  
   67    70    71    72    73    68  
   70    71    72    73    68  
   69    70    73  
    0  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    61   268.000  1.529
   60    65   268.000  1.529
   60    47   268.000  1.529
   60    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    47   317.000  1.522
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   68    69   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    48    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    47    60    58.35000  112.70000
   43    47    73    63.00000  111.10000
   43    47    51    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    55    58.35000  112.70000
   48    45    46    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    65    58.35000  112.70000
   58    60    47    58.35000  112.70000
   58    60    68    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    70    58.35000  112.70000
   60    47    73    63.00000  111.10000
   60    47    51    58.35000  112.70000
   60    68    69    55.00000  108.50000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    63.00000  111.10000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    73    74    80.00000  120.40000
   70    73    47    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    47    51    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    60    65    58.35000  112.70000
   47    73    74    80.00000  120.40000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   68    60    65    50.00000  109.50000
   68    60    47    50.00000  109.50000
   61    58    59    37.50000  110.70000
   61    58    60    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    48   0.46850  1.0 1.0
   33    39    45    48   0.08550 -1.0 2.0
   33    39    45    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    48    49   0.15000  1.0 3.0
   39    45    48    50   0.15000  1.0 3.0
   39    45    48    55   0.34400  1.0 1.0
   39    45    48    55   0.09450 -1.0 2.0
   39    45    48    55   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.09850  1.0 1.0
   40    39    45    48   0.15250 -1.0 2.0
   40    39    45    48  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43    47    60   0.62750  1.0 1.0
   42    43    47    60  -0.30950 -1.0 2.0
   42    43    47    60   0.27300  1.0 3.0
   42    43    47    73  -0.09450  1.0 1.0
   42    43    47    73  -1.12950 -1.0 2.0
   42    43    47    73   0.54000  1.0 3.0
   42    43    47    51   0.62750  1.0 1.0
   42    43    47    51  -0.30950 -1.0 2.0
   42    43    47    51   0.27300  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   43    45    48    55   0.56750  1.0 1.0
   43    45    48    55  -0.07550 -1.0 2.0
   43    45    48    55   0.20000  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    54   0.15000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    47    60   0.15000  1.0 3.0
   44    43    47    73  -0.11250  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    60   0.56750  1.0 1.0
   45    43    47    60  -0.07550 -1.0 2.0
   45    43    47    60   0.20000  1.0 3.0
   45    43    47    73  -0.95700  1.0 1.0
   45    43    47    73  -0.18200 -1.0 2.0
   45    43    47    73   0.29450  1.0 3.0
   45    43    47    51   0.56750  1.0 1.0
   45    43    47    51  -0.07550 -1.0 2.0
   45    43    47    51   0.20000  1.0 3.0
   45    48    55    56   0.15000  1.0 3.0
   45    48    55    57   0.15000  1.0 3.0
   45    48    55    58   0.56750  1.0 1.0
   45    48    55    58  -0.07550 -1.0 2.0
   45    48    55    58   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   48    55    58    59   0.15000  1.0 3.0
   48    55    58    60   0.56750  1.0 1.0
   48    55    58    60  -0.07550 -1.0 2.0
   48    55    58    60   0.20000  1.0 3.0
   48    55    58    61   0.56750  1.0 1.0
   48    55    58    61  -0.07550 -1.0 2.0
   48    55    58    61   0.20000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    58   0.15000  1.0 3.0
   55    58    60    65   0.56750  1.0 1.0
   55    58    60    65  -0.07550 -1.0 2.0
   55    58    60    65   0.20000  1.0 3.0
   55    58    60    47   0.56750  1.0 1.0
   55    58    60    47  -0.07550 -1.0 2.0
   55    58    60    47   0.20000  1.0 3.0
   55    58    60    68   0.86500  1.0 1.0
   55    58    60    68  -0.17500 -1.0 2.0
   55    58    60    68   0.20800  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    64   0.15000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    60    65    66   0.15000  1.0 3.0
   58    60    65    67   0.15000  1.0 3.0
   58    60    65    70   0.56750  1.0 1.0
   58    60    65    70  -0.07550 -1.0 2.0
   58    60    65    70   0.20000  1.0 3.0
   58    60    47    43   0.56750  1.0 1.0
   58    60    47    43  -0.07550 -1.0 2.0
   58    60    47    43   0.20000  1.0 3.0
   58    60    47    73  -0.95700  1.0 1.0
   58    60    47    73  -0.18200 -1.0 2.0
   58    60    47    73   0.29450  1.0 3.0
   58    60    47    51   0.56750  1.0 1.0
   58    60    47    51  -0.07550 -1.0 2.0
   58    60    47    51   0.20000  1.0 3.0
   58    60    68    69  -0.11600  1.0 1.0
   58    60    68    69  -0.09450 -1.0 2.0
   58    60    68    69   0.21250  1.0 3.0
   59    58    60    65   0.15000  1.0 3.0
   59    58    60    47   0.15000  1.0 3.0
   59    58    60    68   0.23400  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
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   60    65    70    71   0.15000  1.0 3.0
   60    65    70    72   0.15000  1.0 3.0
   60    65   -70    73  -0.95700  1.0 1.0
   60    65   -70    73  -0.18200 -1.0 2.0
   60    65   -70    73   0.29450  1.0 3.0
   60    47    51    52   0.15000  1.0 3.0
   60    47    51    53   0.15000  1.0 3.0
   60    47    51    54   0.15000  1.0 3.0
   65    60    47    43   0.56750  1.0 1.0
   65    60    47    43  -0.07550 -1.0 2.0
   65    60    47    43   0.20000  1.0 3.0
   65    60   -47    73  -0.95700  1.0 1.0
   65    60   -47    73  -0.18200 -1.0 2.0
   65    60   -47    73   0.29450  1.0 3.0
   65    60    47    51   0.56750  1.0 1.0
   65    60    47    51  -0.07550 -1.0 2.0
   65    60    47    51   0.20000  1.0 3.0
   65    60    68    69  -0.11600  1.0 1.0
   65    60    68    69  -0.09450 -1.0 2.0
   65    60    68    69   0.21250  1.0 3.0
   65    70    73    74   0.30150 -1.0 2.0
   65    70   -73    47   0.60050  1.0 1.0
   65    70   -73    47   0.05600 -1.0 2.0
   65    70   -73    47   0.26150  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73  -0.11250  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73  -0.11250  1.0 3.0
   70    73    47    43   0.60050  1.0 1.0
   70    73    47    43   0.05600 -1.0 2.0
   70    73    47    43   0.26150  1.0 3.0
   70    73   -47    60   0.60050  1.0 1.0
   70    73   -47    60   0.05600 -1.0 2.0
   70    73   -47    60   0.26150  1.0 3.0
   70    73    47    51   0.60050  1.0 1.0
   70    73    47    51   0.05600 -1.0 2.0
   70    73    47    51   0.26150  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    47   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    47   0.00000  1.0 1.0
   73    47    51    52  -0.11250  1.0 3.0
   73    47    51    53  -0.11250  1.0 3.0
   73    47    51    54  -0.11250  1.0 3.0
   74    73    47    43   0.30150 -1.0 2.0
   74    73    47    60   0.30150 -1.0 2.0
   74    73    47    51   0.30150 -1.0 2.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    48   0.56750  1.0 1.0
   47    43    45    48  -0.07550 -1.0 2.0
   47    43    45    48   0.20000  1.0 3.0
   47    60    65    66   0.15000  1.0 3.0
   47    60    65    67   0.15000  1.0 3.0
   47    60   -65    70   0.56750  1.0 1.0
   47    60   -65    70  -0.07550 -1.0 2.0
   47    60   -65    70   0.20000  1.0 3.0
   47    60    68    69  -0.11600  1.0 1.0
   47    60    68    69  -0.09450 -1.0 2.0
   47    60    68    69   0.21250  1.0 3.0
   68    60    65    66   0.23400  1.0 3.0
   68    60    65    67   0.23400  1.0 3.0
   68    60    65    70   0.86500  1.0 1.0
   68    60    65    70  -0.17500 -1.0 2.0
   68    60    65    70   0.20800  1.0 3.0
   68    60    47    43   0.86500  1.0 1.0
   68    60    47    43  -0.17500 -1.0 2.0
   68    60    47    43   0.20800  1.0 3.0
   68    60    47    73  -0.09450  1.0 1.0
   68    60    47    73  -1.12950 -1.0 2.0
   68    60    47    73   0.54000  1.0 3.0
   68    60    47    51   0.86500  1.0 1.0
   68    60    47    51  -0.17500 -1.0 2.0
   68    60    47    51   0.20800  1.0 3.0
   61    58    60    65   0.56750  1.0 1.0
   61    58    60    65  -0.07550 -1.0 2.0
   61    58    60    65   0.20000  1.0 3.0
   61    58    60    47   0.56750  1.0 1.0
   61    58    60    47  -0.07550 -1.0 2.0
   61    58    60    47   0.20000  1.0 3.0
   61    58    60    68   0.86500  1.0 1.0
   61    58    60    68  -0.17500 -1.0 2.0
   61    58    60    68   0.20800  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
   37    30    36    38  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   70    47    73    74  10.50000 -1.0 2.0
END
