* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    119    180     339
    1     0 S   NP   _N1_     1    29.14542    93.44684   -18.71935
    2     1 S   H    _HN1     2     1.02957   107.89175    42.35937
    3     1 S   H    _H1_     3     1.02831    29.65331   135.55468
    4     1 S   H    _H2_     4     1.02777    79.95034   -63.80199
    5     1 S   CT   _CA1     5     1.50213   132.75432  -174.89627
    6     5 S   HC   _HA1     6     1.09573   105.17143    35.73113
    7     5 S   CO3  _C1_     7     1.53870   112.37714   -84.22484
    8     7 S   O2Z  _O11     8     1.26392   115.05466   -39.38705
    9     7 S   O2Z  _O12     9     1.26242   114.94869   139.51388
   10     5 S   CT   _CB1    10     1.53052   107.26789   153.53426
   11    10 S   HC   HB11    11     1.09817   109.28416   -49.53407
   12    10 S   HC   HB12    12     1.09794   110.32173    66.83257
   13    10 S   CT   _CG1    13     1.53052   112.96913  -170.77855
   14    13 S   HC   HG11    14     1.09487   110.28814   -60.11991
   15    13 S   HC   HG12    15     1.09606   110.32944    58.91326
   16    13 S   C    _CD1    16     1.51864   111.64039   178.55504
   17    16 S   O    _OE1    17     1.22788   122.78766   -24.83882
   18    16 S   N    _N2_    18     1.38557   112.18283   156.57538
   19    18 S   H    _HN2    19     1.01560   119.14615     1.02259
   20    18 S   CT1  _CA2    20     1.46343   123.33065  -177.10802
   21    20 S   HC   _HA2    21     1.09732   109.41322   -13.75150
   22    20 S   C    _C2_    22     1.53371   108.23672  -129.51891
   23    22 S   O    _O2_    23     1.23010   122.33827  -145.05601
   24    20 S   CT   _CB2    32     1.53611   111.26002   108.33327
   25    24 S   HC   HB21    33     1.09208   109.11626    57.49380
   26    24 S   HC   HB22    34     1.09523   110.37864   175.33872
   27    22 S   N    _N3_    24     1.38540   113.30514    42.26247
   28    27 S   H    _HN3    25     1.01533   118.87539    -0.51396
   29    24 S   S    _SG2    35     1.82834   111.11499   -65.91022
   30    27 S   CT   _CA3    26     1.45436   123.38465   175.18289
   31    30 S   HC   HA31    27     1.09530   109.13282    26.28794
   32    30 S   HC   HA32    28     1.09493   107.14577   143.27076
   33    29 S   CT   _C6_    36     1.90001   103.30952   146.74804
   34    30 S   CO3  _C3_    29     1.52930   113.19703   -97.11999
   35    34 S   O2Z  _O31    30     1.26396   115.44259   -43.85987
   36    34 S   O2Z  _O32    31     1.26361   114.95905   137.09096
   37    33 S   CM   _C11    37     1.55159   104.44376   174.63422
   38    33 S   CT   _C5_    58     1.55709   108.38011    54.57473
   39    38 S   HC   _H8_    59     1.09623   110.44090   -58.13712
   40    38 S   HC   _H9_    60     1.09699   110.54788    58.46395
   41    37 S   N4   _N4_    38     1.36527   118.77947    90.22949
   42    37 S   CMA  _C12    55     1.53413   121.16240   -80.13121
   43    42 S   OM   _O34    56     1.26399   119.85296  -110.73220
   44    42 S   OM   _O35    57     1.26293   121.72193    70.17271
   45    38 S   CT   _C4_    61     1.52793   115.21475  -178.54357
   46    45 S   HC   _H5_    62     1.09190   112.53059   -51.27040
   47    45 S   HC   _H6_    63     1.09521   109.70141  -171.32712
   48    45 S   HC   _H7_    64     1.09407   111.26448    70.41182
   49    41 S   C4   _C10    39     1.35397   137.09850  -159.37533
   50    49 S   O    _O33    40     1.20928   134.48716    -0.06256
   51    41 S   C4T  _C8_    43     1.45228   125.73067    31.19756
   52    51 S   HC   _H3_    44     1.09890   111.10037    72.83351
   53    49 S   C4T  _C9_    41     1.56502    89.78810   176.78892
   54    53 S   HC   _H4_    42     1.09523   114.50693   124.40481
   55    51 S   S    _S1_    45     1.80434   111.35319   -53.48256
   56    33 S   CT   _C7_    46     1.55836   108.66163   -64.58157
   57    56 S   HC   _H10    47     1.09273   112.39992    58.47787
   58    56 S   HC   _H11    48     1.09574   110.27671   176.07210
   59    53 S   NT   _N5_    49     1.47069   112.75188  -101.13784
   60    59 S   H    _H12    50     1.02317   113.23126   153.28785
   61    59 S   CT   _C13    51     1.45676   109.70661   -84.94523
   62    61 S   HC   _H13    52     1.09450   111.65806    60.09427
   63    61 S   HC   _H14    53     1.09492   111.45210   -62.13702
   64    61 S   HC   _H15    54     1.09455   109.31693   178.72420
  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  12   5   4   3
  18   2   1   1  17  12   6   5  12   5   1   1   4   2   1   1
   9   4  10   5   9   4   4   2   1   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    55    56    57    58    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    49    51    55    56    57    58    42    43    44    38    39    40    45    46    47    48  
   35    36  
   36  
    0  
   41    49    50    53    51    52    55    56    57    58    42    43    44    38    39    40    45  
   39    40    45    46    47    48    41    42    55    56    57    58  
   40    45    46    47    48    56  
   45    46    47    48    56  
   49    50    53    54    51    52    55    56    59    42    43    44  
   43    44    49    51    56  
   44  
    0  
   46    47    48    56  
   47    48  
   48  
    0  
   50    53    54    51    52    55    59    60    61  
   53    54    51    59  
   52    55    56    57    58    59    60    61    53    54  
   55    56    59    53    54  
   54    55    56    59    60    61    62    63    64  
   55    59    60    61  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   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   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   56   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.020000   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    49   440.000  1.369
   41    51   305.000  1.456
   49    50   930.000  1.212
   49    53   250.000  1.540
   53    54   340.000  1.090
   53    51   268.000  1.529
   53    59   305.000  1.456
   51    52   340.000  1.090
   51    55   200.000  1.824
   55    56   222.000  1.810
   56    57   340.000  1.090
   56    58   340.000  1.090
   59    60   434.000  1.010
   59    61   382.000  1.448
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    56    55    75.00000  111.63000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    58.35000  112.70000
   37    41    49    50.00000  132.10000
   37    41    51    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    49    50    75.00000  131.60000
   41    49    53    95.00000   92.72400
   41    51    53   105.00000   87.49700
   41    51    52    50.00000  112.01000
   41    51    55    80.00000  108.62000
   49    53    54    40.00000  113.37500
   49    53    51   100.00000   86.36000
   49    53    59    80.00000  109.96600
   53    49    50    60.00000  136.58000
   53    51    52    37.50000  110.70000
   53    51    55    65.00000  119.05700
   53    59    60    50.00000  110.07900
   53    59    61    51.80000  107.20000
   51    41    49   100.00000   93.00000
   51    53    54    37.50000  110.70000
   51    55    56    85.00000   99.86700
   55    51    52    45.00000  109.41400
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   56    33    37    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    53    54    50.00000  107.60000
   59    53    51    65.00000  120.10000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   61    59    60    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    56    58.35000  112.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    45    48    37.50000  110.70000
   40    38    39    33.00000  107.80000
   45    38    39    37.50000  110.70000
   45    38    40    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    56    55   0.56750  1.0 1.0
   29    33    56    55  -0.07550 -1.0 2.0
   29    33    56    55   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  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    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   33    37    41    49   0.00000  1.0 1.0
   33    37    41    51   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    45    48   0.15000  1.0 3.0
   37    33    56    55   0.56750  1.0 1.0
   37    33    56    55  -0.07550 -1.0 2.0
   37    33    56    55   0.20000  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.34400  1.0 1.0
   37    33    38    45   0.09450 -1.0 2.0
   37    33    38    45   0.11100  1.0 3.0
   37    41    49    50   3.00000 -1.0 2.0
   37    41    49    53   3.00000 -1.0 2.0
   37    41   -51    53   0.00000  1.0 1.0
   37    41    51    52   0.00000  1.0 1.0
   37    41   -51    55   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    49    53    54   0.00000  1.0 1.0
   41    49   -53    51   3.00000 -1.0 2.0
   41    49    53    59   0.00000  1.0 1.0
   41    51    55    56   0.01700  1.0 1.0
   41    51    55    56  -0.23550 -1.0 2.0
   41    51    55    56   0.21350  1.0 3.0
   49    41   -51    53   0.00000  1.0 1.0
   49    41    51    52   0.00000  1.0 1.0
   49    41    51    55   0.00000  1.0 1.0
   49    53   -51    41   3.00000 -1.0 2.0
   49    53   -51    52   0.15000  1.0 3.0
   49    53   -51    55   0.00000  1.0 1.0
   49    53    59    60   0.21900  1.0 1.0
   49    53    59    60  -0.24900 -1.0 2.0
   49    53    59    60   0.15200  1.0 3.0
   49    53    59    61  -1.76800  1.0 1.0
   49    53    59    61   1.02600 -1.0 2.0
   49    53    59    61   0.19700  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    51  -0.11250  1.0 1.0
   50    49    53    51   0.11400 -1.0 2.0
   50    49    53    51  -0.28950  1.0 3.0
   50    49    53    59   0.30150 -1.0 2.0
   53    51    55    56   0.25150  1.0 1.0
   53    51    55    56  -1.17200 -1.0 2.0
   53    51    55    56   0.53050  1.0 3.0
   53    59    61    62   0.28000  1.0 3.0
   53    59    61    63   0.28000  1.0 3.0
   53    59    61    64   0.28000  1.0 3.0
   54    53   -51    41   0.15000  1.0 3.0
   54    53    51    52   0.15000  1.0 3.0
   54    53    51    55   0.00000  1.0 1.0
   54    53    59    60   0.20000  1.0 3.0
   54    53    59    61   0.28000  1.0 3.0
   51    41   -49    50   3.00000 -1.0 2.0
   51    41   -49    53   3.00000 -1.0 2.0
   51    53    59    60  -0.05950  1.0 1.0
   51    53    59    60   0.08850 -1.0 2.0
   51    53    59    60   0.11750  1.0 3.0
   51    53    59    61   0.23450  1.0 1.0
   51    53    59    61   0.02050 -1.0 2.0
   51    53    59    61   0.25250  1.0 3.0
   51    55   -56    33  -0.25000 -1.0 2.0
   51    55   -56    33  -0.01800  1.0 3.0
   51    55    56    57   0.32350  1.0 3.0
   51    55    56    58   0.32350  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   56    33   -37    41  -0.93550  1.0 1.0
   56    33   -37    41   0.38900 -1.0 2.0
   56    33   -37    41   0.16950  1.0 3.0
   56    33    37    42   0.09850  1.0 1.0
   56    33    37    42   0.15250 -1.0 2.0
   56    33    37    42  -0.50650  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33    38    45   0.56750  1.0 1.0
   56    33    38    45  -0.07550 -1.0 2.0
   56    33    38    45   0.20000  1.0 3.0
   59    53   -51    41   2.65250  1.0 1.0
   59    53   -51    41   0.86150 -1.0 2.0
   59    53    51    52   0.15000  1.0 3.0
   59    53    51    55   0.00000  1.0 1.0
   60    59    61    62   0.20000  1.0 3.0
   60    59    61    63   0.20000  1.0 3.0
   60    59    61    64   0.20000  1.0 3.0
   42    37    41    49   0.00000  1.0 1.0
   42    37    41    51   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    56    55   0.44750  1.0 1.0
   38    33    56    55  -0.17800 -1.0 2.0
   38    33    56    55   0.20200  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    58   0.15000  1.0 3.0
   39    38    45    46   0.15000  1.0 3.0
   39    38    45    47   0.15000  1.0 3.0
   39    38    45    48   0.15000  1.0 3.0
   40    38    45    46   0.15000  1.0 3.0
   40    38    45    47   0.15000  1.0 3.0
   40    38    45    48   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   51    49    41    37   1.00000 -1.0 2.0
   41    53    49    50  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
END
