* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    113    165     325
    1     0 S   NP   _N1_     1    30.44175    90.64612   -18.58467
    2     1 S   H    _HN1     2     1.02970   115.02748   105.95982
    3     1 S   H    _H1_     3     1.02722    29.97763    24.52059
    4     1 S   H    _H2_     4     1.03215   127.15206   -33.51139
    5     1 S   CT   _CA1     5     1.50342    81.93583  -145.39092
    6     5 S   HC   _HA1     6     1.09556   105.37365    59.04680
    7     5 S   CO3  _C1_     7     1.53611   112.93261   -61.74561
    8     7 S   O2Z  _O11     8     1.26376   115.09678   -40.37336
    9     7 S   O2Z  _O12     9     1.26265   114.96603   138.97637
   10     5 S   CT   _CB1    10     1.52624   106.72639   176.69086
   11    10 S   HC   HB11    11     1.09681   108.61687   -54.04340
   12    10 S   HC   HB12    12     1.09814   109.95722    61.76324
   13    10 S   CT   _CG1    13     1.53067   114.48359  -174.83358
   14    13 S   HC   HG11    14     1.09519   111.33243   -77.34624
   15    13 S   HC   HG12    15     1.09565   110.95162    43.01079
   16    13 S   C    _CD1    16     1.51519   108.80410   161.84621
   17    16 S   O    _OE1    17     1.22833   121.97147  -109.50683
   18    16 S   N    _N2_    18     1.38329   112.69848    67.57368
   19    18 S   H    _HN2    19     1.01551   119.37950    10.64906
   20    18 S   CT1  _CA2    20     1.45436   122.62688  -167.30617
   21    20 S   HC   _HA2    21     1.09683   108.19871    28.62048
   22    20 S   C    _C2_    22     1.52850   108.12673   -88.76699
   23    22 S   O    _O2_    23     1.22934   122.95088   -27.01496
   24    20 S   CT   _CB2    32     1.53367   112.22602   150.65293
   25    24 S   HC   HB21    33     1.09669   109.73371    70.26380
   26    24 S   HC   HB22    34     1.09583   110.55014  -172.85622
   27    22 S   N    _N3_    24     1.38633   112.32536   155.92002
   28    27 S   H    _HN3    25     1.01490   119.73577     0.75976
   29    24 S   S    _SG2    35     1.83066   115.28378   -49.44680
   30    27 S   CT   _CA3    26     1.45449   122.85573   175.33952
   31    30 S   HC   HA31    27     1.09537   108.97733    29.84915
   32    30 S   HC   HA32    28     1.09480   107.17732   146.98575
   33    29 S   CT   _C16    36     1.82636   100.44985   -59.04270
   34    33 S   HC   _H12    37     1.09413   108.66129    72.91287
   35    33 S   HC   _H13    38     1.09445   109.51842   -43.39872
   36    30 S   CO3  _C3_    29     1.53047   113.52043   -93.20253
   37    36 S   O2Z  _O31    30     1.26378   115.76568   -32.54129
   38    36 S   O2Z  _O32    31     1.26398   114.72531   148.33656
   39    33 S   CM   _C6_    39     1.52855   109.78470  -164.41178
   40    39 S   CMA  _C7_    40     1.37088   121.23415   -99.31357
   41    40 S   OM   _O36    41     1.26800   128.50213    -0.73807
   42    39 S   CT   _C5_    59     1.52924   113.05109    81.24623
   43    42 S   HC   _H6_    60     1.09656   109.66724   -41.57874
   44    42 S   HC   _H7_    61     1.09372   112.34227  -157.26847
   45    40 S   CA   _C8_    42     1.50231   114.63745   179.34449
   46    42 S   CT   _C4_    62     1.52401   112.51490    79.82678
   47    46 S   HC   _H3_    63     1.09427   111.49118    58.85115
   48    46 S   HC   _H4_    64     1.09493   109.95561   178.43602
   49    46 S   HC   _H5_    65     1.09432   111.69557   -62.17605
   50    45 S   CA   _C9_    43     1.40448   117.99851    91.19926
   51    50 S   HA   _H8_    44     1.08843   120.17370    -0.51776
   52    50 S   CA   _C10    45     1.39573   121.04147   179.52853
   53    52 S   HA   _H9_    46     1.08553   117.51937   179.79158
   54    52 S   CA   _C11    47     1.39685   120.46578    -0.32506
   55    54 S   CA   _C12    48     1.40828   119.17559    -0.19584
   56    55 S   Cl   Cl2_    49     1.74075   118.82332  -179.81869
   57    54 S   OS   _O33    52     1.37255   124.18083   179.94405
   58    45 S   CA   _C13    50     1.41110   123.15017   -90.15021
   59    58 S   Cl   Cl1_    51     1.74106   119.67920     0.87312
   60    57 S   CT   _C14    53     1.42668   117.66049    -0.77177
   61    60 S   HC   _H10    54     1.09657   110.78623   -60.62834
   62    60 S   HC   _H11    55     1.09651   110.71311    61.84311
   63    60 S   CO3  _C15    56     1.52675   106.84457  -179.31729
   64    63 S   O2Z  _O35    57     1.26365   115.13185    88.55364
   65    63 S   O2Z  _O34    58     1.26358   115.14904   -92.08871
  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  12   4   7   5   4   9   3   2   1
   1   8   4   7   3   9   5   3   7   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    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    42    43    44    46  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    45    50    58    42    43    44    46    47    48    49  
   41    45    50    51    52    55    58    59    42    43    44    46  
   45    50    58    42  
   43    44    46    47    48    49    45  
   44    46    47    48    49  
   46    47    48    49  
   50    51    52    53    54    55    56    58    59  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    58    59    57  
   52    53    54    58  
   53    54    55    56    58    57    60  
   54    55    57  
   55    56    58    59    57    60    61    62    63  
   56    58    59    57    60  
   58    59    57  
   60    61    62    63    64    65    58  
   59  
    0  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   60   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   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    42   317.000  1.510
   40    41   745.000  1.250
   40    45   320.000  1.460
   45    50   469.000  1.400
   45    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   300.000  1.725
   55    58   469.000  1.400
   58    59   300.000  1.725
   57    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    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    45    60.00000  123.20500
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    70.00000  112.02700
   40    45    50    60.00000  120.93500
   40    45    58    60.00000  120.93500
   45    40    41    85.00000  114.86500
   45    50    51    35.00000  120.00000
   45    50    52    63.00000  120.00000
   45    58    55    63.00000  120.00000
   45    58    59    75.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    57    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    75.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    75.00000  120.00000
   58    45    50    63.00000  120.00000
   58    55    56    75.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    85.00000  109.63000
   60    63    64    70.00000  117.00000
   60    63    65    70.00000  117.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   65    63    64    80.00000  126.00000
   42    39    40    70.00000  124.00000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.46850  1.0 1.0
   33    39    42    46   0.08550 -1.0 2.0
   33    39    42    46   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    45    50   0.15800  1.0 1.0
   39    40    45    50   1.85350 -1.0 2.0
   39    40    45    50  -0.48700  1.0 3.0
   39    40    45    58   0.15800  1.0 1.0
   39    40    45    58   1.85350 -1.0 2.0
   39    40    45    58  -0.48700  1.0 3.0
   39    42    46    47   0.15000  1.0 3.0
   39    42    46    48   0.15000  1.0 3.0
   39    42    46    49   0.15000  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    46   0.09850  1.0 1.0
   40    39    42    46   0.15250 -1.0 2.0
   40    39    42    46  -0.50650  1.0 3.0
   40    45    50    51   3.62500 -1.0 2.0
   40    45    50    52   3.62500 -1.0 2.0
   40    45    58    55   3.62500 -1.0 2.0
   40    45    58    59   3.62500 -1.0 2.0
   41    40    45    50  -0.01750  1.0 1.0
   41    40    45    50  -0.32000 -1.0 2.0
   41    40    45    50   0.00600  1.0 3.0
   41    40    45    58  -0.01750  1.0 1.0
   41    40    45    58  -0.32000 -1.0 2.0
   41    40    45    58   0.00600  1.0 3.0
   45    50    52    53   3.62500 -1.0 2.0
   45    50    52    54   3.62500 -1.0 2.0
   50    45    58    55   3.62500 -1.0 2.0
   50    45    58    59   3.62500 -1.0 2.0
   50    52   -54    55   3.62500 -1.0 2.0
   50    52    54    57   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54    55    58   3.62500 -1.0 2.0
   52    54    57    60   1.63200 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   54    55   -58    45   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    57    60    61   0.08050  1.0 3.0
   54    57    60    62   0.08050  1.0 3.0
   54    57    60    63  -0.25600  1.0 1.0
   54    57    60    63  -0.40050 -1.0 2.0
   54    57    60    63   0.34700  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   56    55    58    45   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   58    45    50    51   3.62500 -1.0 2.0
   58    45   -50    52   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60    63    64   0.30150 -1.0 2.0
   57    60    63    65   0.30150 -1.0 2.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.00000  1.0 1.0
   62    60    63    65   0.00000  1.0 1.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    48   0.15000  1.0 3.0
   44    42    46    49   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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   45    41    40    39  15.00000 -1.0 2.0
   50    58    45    40   4.00000 -1.0 2.0
   52    51    50    45   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    57    54    52   4.00000 -1.0 2.0
   58    56    55    54   4.00000 -1.0 2.0
   55    59    58    45   4.00000 -1.0 2.0
   64    60    63    65  10.50000 -1.0 2.0
END
