* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    128    189     376
    1     0 S   NP   _N1_     1    29.05990    94.95717   -24.05360
    2     1 S   H    _HN1     2     1.02832    28.11125   168.63157
    3     1 S   H    _H1_     3     1.02784   107.90969   -96.82015
    4     1 S   H    _H2_     4     1.02951    80.82283     9.62709
    5     1 S   CT   _CA1     5     1.50108   131.30977   118.81241
    6     5 S   HC   _HA1     6     1.09571   105.22413    81.93031
    7     5 S   CO3  _C1_     7     1.53794   112.39704   -38.36111
    8     7 S   O2Z  _O11     8     1.26374   115.00033   -43.74259
    9     7 S   O2Z  _O12     9     1.26235   114.94207   135.40300
   10     5 S   CT   _CB1    10     1.53080   107.43440  -160.06002
   11    10 S   HC   HB11    11     1.09831   109.42838   -49.64857
   12    10 S   HC   HB12    12     1.09817   110.42228    66.95979
   13    10 S   CT   _CG1    13     1.53001   112.59930  -170.62673
   14    13 S   HC   HG11    14     1.09584   110.60660   -64.24884
   15    13 S   HC   HG12    15     1.09663   109.84236    55.00308
   16    13 S   C    _CD1    16     1.51784   112.21193   175.48334
   17    16 S   O    _OE1    17     1.22741   123.26761     5.09616
   18    16 S   N    _N2_    18     1.38652   111.70211  -175.15249
   19    18 S   H    _HN2    19     1.01589   119.01834     1.67841
   20    18 S   CT1  _CA2    20     1.46094   123.31136   178.44279
   21    20 S   HC   _HA2    21     1.09586   109.28465    -0.72685
   22    20 S   C    _C2_    22     1.53510   108.88010  -115.81452
   23    22 S   O    _O2_    23     1.23058   122.20627  -149.68935
   24    20 S   CT   _CB2    32     1.53314   111.73329   121.61770
   25    24 S   HC   HB21    33     1.09652   109.67097    62.34352
   26    24 S   HC   HB22    34     1.09570   110.90805   179.73459
   27    22 S   N    _N3_    24     1.38313   113.70248    37.87722
   28    27 S   H    _HN3    25     1.01601   119.54655    -3.64809
   29    24 S   S    _SG2    35     1.82867   114.54174   -57.50214
   30    27 S   CT   _CA3    26     1.45283   123.19846   176.95239
   31    30 S   HC   HA31    27     1.09550   107.54301   -63.66529
   32    30 S   HC   HA32    28     1.09557   107.94537    52.76522
   33    29 S   CT   _C12    36     1.82862    99.83922   -66.08185
   34    33 S   HC   _H13    37     1.09477   107.89480   -53.11915
   35    33 S   HC   _H14    38     1.09314   108.44356    65.47228
   36    30 S   CO3  _C3_    29     1.52952   114.08202   174.74037
   37    36 S   O2Z  _O31    30     1.26376   116.05191    -0.49099
   38    36 S   O2Z  _O32    31     1.26426   114.41607   179.56255
   39    33 S   CT   _C10    39     1.53494   110.47725  -174.20945
   40    39 S   HC   _H7_    40     1.09871   109.65461   -47.25579
   41    39 S   CT   _C11    41     1.54236   111.28212  -167.75793
   42    41 S   HC   _H8_    42     1.09531   108.23279    63.96916
   43    41 S   CT   _C7_    43     1.54133   111.35015  -174.10193
   44    43 S   HC   _H4_    44     1.09740   110.34089   169.46070
   45    41 S   OH   _O37    70     1.42833   109.62946   -52.40737
   46    45 S   HO   _H12    71     0.97288   107.43509   178.83484
   47    43 S   CT   _C8_    45     1.54215   110.98832    48.80292
   48    47 S   HC   _H5_    46     1.09771   109.57437  -168.51830
   49    43 S   OS   _O35    60     1.43494   109.71157   -69.20324
   50    47 S   CO   _C9_    47     1.53778   110.33360   -49.43478
   51    50 S   HC   _H6_    48     1.09726   110.24297   -64.38974
   52    47 S   N    _N4_    52     1.46486   110.74072    73.70112
   53    52 S   H    _H16    53     1.01595   117.20947   -88.17140
   54    49 S   CT   _C5_    61     1.43191   114.20799   -84.63975
   55    54 S   HC   _H3_    62     1.09564   111.03912    39.92876
   56    39 S   OS   _O36    49     1.43534   108.19139    71.33789
   57    50 S   OH   _O38    50     1.42473   109.33830   177.97571
   58    57 S   HO   _H15    51     0.97186   106.65013   158.74023
   59    52 S   C    _C13    54     1.38174   123.23339    87.13080
   60    59 S   O    _O39    55     1.22749   125.53943     0.77984
   61    54 S   CO3  _C6_    63     1.53813   108.90239   -82.47315
   62    61 S   O2Z  _O34    64     1.26318   116.21145   -61.39731
   63    61 S   O2Z  _O33    65     1.26513   114.37794   118.37922
   64    54 S   CT   _C4_    66     1.52036   107.75944   159.23665
   65    64 S   HC   _H9_    67     1.09589   111.71243    53.85401
   66    64 S   HC   _H10    68     1.09455   111.42543   175.41717
   67    64 S   HC   _H11    69     1.09563   110.07192   -64.08460
   68    59 S   CT   _C14    56     1.50449   112.42025  -178.09649
   69    68 S   HC   _H17    57     1.09340   109.38280    74.85615
   70    68 S   HC   _H18    58     1.09348   109.64839  -165.29754
   71    68 S   HC   _H19    59     1.09381   110.44015   -45.66268
  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   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  17   7   4   1  13   8
  11   7   4   9   3   8   7   2   1   1   5   4   6   2   1   3
   2   1   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    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    41    56  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    50    56    45  
   35    39    40    41    56  
   39    40    41    56  
   37    38  
   38  
    0  
   40    41    42    43    44    47    50    51    56    57    49    45    46  
   41    42    43    50    56    45  
   42    43    44    47    48    50    56    52    49    54    45    46  
   43    44    47    56    49    45    46  
   44    47    48    50    51    56    57    52    53    59    49    54    55    61    64    45    46  
   47    48    50    52    49    54    45  
   46    47    49    56  
    0  
   48    50    51    56    57    58    52    53    59    60    68    49    54  
   50    51    56    57    52    53    59    49  
   54    55    61    62    63    64    65    66    67    50    52  
   51    56    57    58    52    53    59  
   56    57    58    52  
   53    59    60    68    69    70    71    56    57  
   59    60    68  
   55    61    62    63    64    65    66    67  
   61    62    63    64    65    66    67  
   57    58  
   58  
    0  
   60    68    69    70    71  
   68    69    70    71  
   62    63    64    65    66    67  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    56   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    50   250.000  1.527
   47    52   337.000  1.449
   50    51   340.000  1.090
   50    56   320.000  1.380
   50    57   380.000  1.407
   57    58   553.000  0.945
   52    53   434.000  1.010
   52    59   490.000  1.335
   59    60   570.000  1.229
   59    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    61   317.000  1.522
   54    64   268.000  1.529
   61    62   656.000  1.250
   61    63   656.000  1.250
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    56    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    56    50    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    50    75.00000  109.43000
   43    47    52    70.00000  110.72300
   43    49    54    60.00000  109.50000
   47    43    44    37.50000  110.70000
   47    50    51    45.00000  112.01100
   47    50    56    90.00000  108.56700
   47    50    57    90.00000  110.19100
   47    52    53    38.00000  118.40000
   47    52    59    50.00000  121.90000
   50    47    48    45.00000  108.72000
   50    57    58    70.00000  107.92000
   56    39    40    35.00000  109.50000
   56    39    41    50.00000  109.50000
   56    50    51    35.00000  109.50000
   57    50    51    60.00000  108.02500
   57    50    56   110.00000  112.08000
   52    47    48    35.00000  109.50000
   52    47    50    70.00000  110.72300
   52    59    60    80.00000  122.90000
   52    59    68    70.00000  116.60000
   59    52    53    35.00000  119.80000
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   68    59    60    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    61    85.00000  109.63000
   49    54    64    50.00000  109.50000
   54    61    62    70.00000  117.00000
   54    61    63    70.00000  117.00000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    67    37.50000  110.70000
   61    54    55    35.00000  109.50000
   63    61    62    80.00000  126.00000
   64    54    55    37.50000  110.70000
   64    54    61    70.00000  109.69300
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  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    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    56   0.56750  1.0 1.0
   29    33    39    56  -0.07550 -1.0 2.0
   29    33    39    56   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    56    50   0.06250  1.0 1.0
   33    39    56    50  -0.01100 -1.0 2.0
   33    39    56    50   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    56   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    56   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.62750  1.0 1.0
   39    41    43    49  -0.30950 -1.0 2.0
   39    41    43    49   0.27300  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    56    50   0.37050  1.0 3.0
   41    39    56    50   0.06250  1.0 1.0
   41    39    56    50  -0.01100 -1.0 2.0
   41    39    56    50   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    50   3.97050  1.0 1.0
   41    43    47    52  -0.27100  1.0 1.0
   41    43    47    52  -0.01700 -1.0 2.0
   41    43    47    52  -0.48600  1.0 3.0
   41    43    49    54   0.06250  1.0 1.0
   41    43    49    54  -0.01100 -1.0 2.0
   41    43    49    54   0.28050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    56   0.62750  1.0 1.0
   43    47    50    56  -0.30950 -1.0 2.0
   43    47    50    56   0.27300  1.0 3.0
   43    47    50    57   0.86500  1.0 1.0
   43    47    50    57  -0.17500 -1.0 2.0
   43    47    50    57   0.20800  1.0 3.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    59  -0.43950  1.0 1.0
   43    47    52    59  -0.08100 -1.0 2.0
   43    47    52    59   0.03350  1.0 3.0
   43    49    54    55   0.37050  1.0 3.0
   43    49    54    61  -1.11000  1.0 1.0
   43    49    54    61   0.50250 -1.0 2.0
   43    49    54    61   0.47450  1.0 3.0
   43    49    54    64   0.06250  1.0 1.0
   43    49    54    64  -0.01100 -1.0 2.0
   43    49    54    64   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    49    54   0.37050  1.0 3.0
   47    43    49    54   0.06250  1.0 1.0
   47    43    49    54  -0.01100 -1.0 2.0
   47    43    49    54   0.28050  1.0 3.0
   47    50   -56    39   0.06250  1.0 1.0
   47    50   -56    39  -0.01100 -1.0 2.0
   47    50   -56    39   0.28050  1.0 3.0
   47    50    57    58  -0.11600  1.0 1.0
   47    50    57    58  -0.09450 -1.0 2.0
   47    50    57    58   0.21250  1.0 3.0
   47    52    59    60   3.04450 -1.0 2.0
   47    52    59    68   1.49850  1.0 1.0
   47    52    59    68   1.53950 -1.0 2.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   48    47    50    57   0.23400  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    59   0.00000  1.0 1.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    59  -0.43950  1.0 1.0
   50    47    52    59  -0.08100 -1.0 2.0
   50    47    52    59   0.03350  1.0 3.0
   51    50    56    39   0.37050  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   56    39    41    42   0.23400  1.0 3.0
   56    39   -41    43   0.62750  1.0 1.0
   56    39   -41    43  -0.30950 -1.0 2.0
   56    39   -41    43   0.27300  1.0 3.0
   56    39    41    45   3.69350  1.0 1.0
   56    39    41    45  -1.82950 -1.0 2.0
   56    50    57    58  -0.50000  1.0 1.0
   56    50    57    58  -0.73950 -1.0 2.0
   56    50    57    58   0.17150  1.0 3.0
   57    50    56    39  -0.81800  1.0 1.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   1.12100  1.0 1.0
   52    47    50    56  -0.16500 -1.0 2.0
   52    47    50    57   2.76900  1.0 1.0
   52    47    50    57  -0.24350 -1.0 2.0
   52    47    50    57  -0.78250  1.0 3.0
   52    59    68    69   0.00000  1.0 1.0
   52    59    68    70   0.00000  1.0 1.0
   52    59    68    71   0.00000  1.0 1.0
   53    52    59    60   2.45000 -1.0 2.0
   53    52    59    68   2.45000 -1.0 2.0
   60    59    68    69   0.00000  1.0 1.0
   60    59    68    70   0.00000  1.0 1.0
   60    59    68    71   0.00000  1.0 1.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    50   0.62750  1.0 1.0
   49    43    47    50  -0.30950 -1.0 2.0
   49    43    47    50   0.27300  1.0 3.0
   49    43    47    52   1.12100  1.0 1.0
   49    43    47    52  -0.16500 -1.0 2.0
   49    54    61    62   0.30150 -1.0 2.0
   49    54    61    63   0.30150 -1.0 2.0
   49    54    64    65   0.23400  1.0 3.0
   49    54    64    66   0.23400  1.0 3.0
   49    54    64    67   0.23400  1.0 3.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    63   0.00000  1.0 1.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    67   0.15000  1.0 3.0
   61    54    64    65  -0.11250  1.0 3.0
   61    54    64    66  -0.11250  1.0 3.0
   61    54    64    67  -0.11250  1.0 3.0
   64    54    61    62   0.41150 -1.0 2.0
   64    54    61    63   0.41150 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.69350  1.0 1.0
   45    41    43    49  -1.82950 -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
   37    30    36    38  10.50000 -1.0 2.0
   53    59    52    47   1.00000 -1.0 2.0
   52    68    59    60  10.50000 -1.0 2.0
   62    54    61    63  10.50000 -1.0 2.0
END
