* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    118    186     344
    1     0 S   NP   _N1_     1    29.28551    97.11099   -20.27954
    2     1 S   H    _HN1     2     1.02923    62.34758   -22.42615
    3     1 S   H    _H1_     3     1.02801    46.50745   141.35686
    4     1 S   H    _H2_     4     1.02842   110.44166  -122.98703
    5     1 S   CT   _CA1     5     1.50164   136.82564    68.60520
    6     5 S   HC   _HA1     6     1.09568   105.10497   107.14779
    7     5 S   CO3  _C1_     7     1.53863   112.20398   -13.10827
    8     7 S   O2Z  _O11     8     1.26417   115.03553   -48.25375
    9     7 S   O2Z  _O12     9     1.26202   114.99974   130.19884
   10     5 S   CT   _CB1    10     1.52990   107.22242  -134.90287
   11    10 S   HC   HB11    11     1.09832   109.73272   -46.10586
   12    10 S   HC   HB12    12     1.09795   110.46313    70.51973
   13    10 S   CT   _CG1    13     1.52963   112.43174  -166.78808
   14    13 S   HC   HG11    14     1.09372   110.99766   -66.18555
   15    13 S   HC   HG12    15     1.09545   109.50863    52.78809
   16    13 S   C    _CD1    16     1.51708   110.42757   174.41173
   17    16 S   O    _OE1    17     1.22892   122.20113    43.17827
   18    16 S   N    _N2_    18     1.38507   112.96481  -136.44074
   19    18 S   H    _HN2    19     1.01590   119.10693    -0.41401
   20    18 S   CT1  _CA2    20     1.46204   123.18487   175.67129
   21    20 S   HC   _HA2    21     1.09742   109.03758     6.40123
   22    20 S   C    _C2_    22     1.53672   108.87147  -108.90444
   23    22 S   O    _O2_    23     1.23078   122.14421  -151.83000
   24    20 S   CT   _CB2    32     1.53487   112.32549   128.10877
   25    24 S   HC   HB21    33     1.09403   110.81347    65.42032
   26    24 S   HC   HB22    34     1.09585   109.70670  -177.48347
   27    22 S   N    _N3_    24     1.38322   113.86057    35.49142
   28    27 S   H    _HN3    25     1.01546   119.44612    -3.28920
   29    24 S   S    _SG2    35     1.82969   111.53575   -59.31848
   30    27 S   CT   _CA3    26     1.45245   123.52576   177.51407
   31    30 S   HC   HA31    27     1.09541   107.51249   -65.34683
   32    30 S   HC   HA32    28     1.09553   108.00535    51.12767
   33    29 S   CT   _C18    36     1.86765   101.40419   122.52948
   34    30 S   CO3  _C3_    29     1.53039   113.98666   173.15734
   35    34 S   O2Z  _O31    30     1.26398   116.16043     0.62307
   36    34 S   O2Z  _O32    31     1.26427   114.40759  -179.35109
   37    33 S   CM   _C11    37     1.50181   108.96783   -60.20782
   38    37 S   HC   _H28    38     1.08981   116.23186    83.07068
   39    33 S   OS   _O22    63     1.42651   108.92701    62.40889
   40    37 S   CMA  _C16    39     1.34840   125.95439   -98.42382
   41    40 S   OM   _O17    40     1.26106   128.40952  -179.24905
   42    39 S   CT   _C19    64     1.42274   115.86098   178.79293
   43    42 S   HC   _H30    65     1.09372   107.85228  -176.09330
   44    42 S   HC   _H31    66     1.09355   111.09899    65.88701
   45    42 S   HC   _H32    67     1.09319   111.62609   -57.51167
   46    40 S   CM   _C14    41     1.48972   118.53863     1.29935
   47    46 S   CM   _C10    42     1.34930   120.39769   -11.92557
   48    47 S   HC   _H27    43     1.08585   122.43637  -177.35336
   49    46 S   CM   _C15    46     1.47141   124.51684   169.92200
   50    33 S   CO4  _C17    44     1.53561   103.92787  -178.55612
   51    50 S   O    _O19    45     1.23156   122.77652   -83.27944
   52    49 S   CM   _C12    47     1.34135   122.96729    80.76438
   53    52 S   HC   _H29    48     1.08282   123.54218     0.34207
   54    49 S   CO4  _C13    59     1.48912   119.61600   -99.03597
   55    54 S   O    _O18    60     1.22466   122.54716    -4.99277
   56    52 S   OS   _O20    49     1.37352   126.73381  -179.02844
   57    56 S   CA   _C8_    50     1.37206   117.56426     3.04015
   58    57 S   CA   _C6_    51     1.39470   117.20193   176.75436
   59    58 S   HA   _H26    52     1.08639   120.38007    -0.07662
   60    58 S   CA   _C9_    53     1.39316   119.35309  -179.79347
   61    60 S   CA   _C5_    54     1.39461   120.94397    -0.16193
   62    61 S   HA   _H25    55     1.08605   120.99693   179.67254
   63    60 S   OH   _O21    61     1.36673   118.11750   179.78602
   64    63 S   HO   _H33    62     0.97244   108.50404  -178.80237
   65    61 S   CA   _C4_    56     1.39534   119.59569    -0.10468
   66    65 S   HA   _H24    57     1.08674   119.21968   179.55020
   67    57 S   CA   _C7_    58     1.39513   122.72103    -3.32720
  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   9   5   4   3
  14   2   1   1  10   5   8   8   3   4   2   1   1  11   6   3
   9   1   1   7   3   8   3   6   8   8   4   7   6   4   2   1
   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    50    51    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    50    51    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    50    51    49    39    42  
   40    41    46    50    39  
   42    43    44    45    40    47    50    51  
   41    46    47    48    50    49    52    54  
   46    47    49  
   43    44    45    50  
   44    45  
   45  
    0  
   47    48    50    51    49    52    53    56    67    54    55  
   48    50    51    49    52    54  
   50    51    49  
   52    53    56    57    65    67    54    55    50  
   51  
    0  
   53    56    57    58    67    54    55  
   56    57    54  
   55    56    57    58    61    65    66    67  
   57    65    67  
   57    58    59    60    65    67  
   58    59    60    61    65    66    67    63  
   59    60    61    62    65    67    63    64  
   60    61    67    63  
   61    62    65    66    67    63    64  
   62    65    66    67    63    64  
   65    66    67    63  
   64    65  
    0  
   66    67  
   67  
    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  -0.316400   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   0.465900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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    50   317.000  1.522
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   549.000  1.340
   46    49   380.000  1.444
   47    48   340.000  1.080
   47    50   320.000  1.462
   50    51   570.000  1.229
   49    52   549.000  1.340
   49    54   320.000  1.462
   52    53   340.000  1.080
   52    56   440.000  1.360
   56    57   450.000  1.364
   57    58   469.000  1.400
   57    67   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    54   310.000  1.470
   54    55   570.000  1.229
   63    64   553.000  0.945
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    50    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    50    47    65.00000  118.62400
   33    50    51    80.00000  120.40000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    46    47    70.00000  117.34000
   40    46    49    60.00000  124.00000
   46    40    41    65.00000  137.10300
   46    47    48    35.00000  120.00000
   46    47    50    65.00000  118.96000
   46    49    52    60.00000  124.00000
   46    49    54    60.00000  124.00000
   47    50    51    80.00000  123.72100
   50    33    37    70.00000  109.06800
   50    47    48    40.00000  117.72500
   49    46    47    60.00000  124.00000
   49    52    53    35.00000  120.00000
   49    52    56    80.00000  120.01400
   49    54    67    65.00000  117.02400
   49    54    55    80.00000  123.72100
   52    56    57    90.00000  114.30300
   56    52    53    55.00000  109.52600
   56    57    58    70.00000  120.00000
   56    57    67    70.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    60    63.00000  120.00000
   57    67    65    63.00000  120.00000
   57    67    54    60.00000  119.52600
   58    60    61    63.00000  120.00000
   58    60    63    70.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    66    35.00000  120.00000
   61    65    67    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    67    54    60.00000  119.52600
   67    57    58    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    54    55    75.00000  123.78400
   54    49    52    65.00000  118.96000
   63    60    61    70.00000  120.00000
   39    33    37    85.00000  110.90400
   39    33    50    90.00000  108.74100
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    50    47   0.65300  1.0 1.0
   29    33    50    47  -0.03850 -1.0 2.0
   29    33    50    47   0.33900  1.0 3.0
   29    33    50    51   0.30150 -1.0 2.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    50    47   0.65300  1.0 1.0
   37    33    50    47  -0.03850 -1.0 2.0
   37    33    50    47   0.33900  1.0 3.0
   37    33    50    51   0.30150 -1.0 2.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47   7.00000 -1.0 2.0
   37    40    46    49   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   7.00000 -1.0 2.0
   40    46    47    50   7.00000 -1.0 2.0
   40    46    49    52   0.28850  1.0 1.0
   40    46    49    52   2.61350 -1.0 2.0
   40    46    49    52   0.78400  1.0 3.0
   40    46    49    54  -0.18600  1.0 3.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    49   7.00000 -1.0 2.0
   46    47   -50    33  -0.33500  1.0 1.0
   46    47   -50    33   1.06600 -1.0 2.0
   46    47   -50    33  -0.14000  1.0 3.0
   46    47    50    51   1.00000 -1.0 2.0
   46    49    52    53   7.00000 -1.0 2.0
   46    49    52    56   7.00000 -1.0 2.0
   46    49    54    67  -1.65800  1.0 1.0
   46    49    54    67   0.77650 -1.0 2.0
   46    49    54    55   1.00000 -1.0 2.0
   47    46    49    52   0.28850  1.0 1.0
   47    46    49    52   2.61350 -1.0 2.0
   47    46    49    52   0.78400  1.0 3.0
   47    46    49    54  -0.18600  1.0 3.0
   48    47    50    33   0.04550  1.0 1.0
   48    47    50    33   0.83000 -1.0 2.0
   48    47    50    33  -0.04000  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    40  -0.51250  1.0 1.0
   50    33   -37    40  -0.88800 -1.0 2.0
   50    33   -37    40   0.08850  1.0 3.0
   50    33    39    42  -1.11000  1.0 1.0
   50    33    39    42   0.50250 -1.0 2.0
   50    33    39    42   0.47450  1.0 3.0
   49    46    47    48   7.00000 -1.0 2.0
   49    46    47    50   7.00000 -1.0 2.0
   49    52    56    57   2.00000 -1.0 2.0
   52    49    54    67  -1.65800  1.0 1.0
   52    49    54    67   0.77650 -1.0 2.0
   52    49    54    55   1.00000 -1.0 2.0
   52    56    57    58   0.00000  1.0 1.0
   52    56   -57    67   0.00000  1.0 1.0
   53    52    56    57   0.50000 -1.0 2.0
   56    57    58    59   3.62500 -1.0 2.0
   56    57    58    60   3.62500 -1.0 2.0
   56    57    67    65   3.62500 -1.0 2.0
   56    57    67    54   3.62500 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    63   3.62500 -1.0 2.0
   57    67   -54    49  -0.11500  1.0 1.0
   57    67   -54    49   1.10450 -1.0 2.0
   57    67   -54    49  -0.48050  1.0 3.0
   57    67    54    55   1.05000 -1.0 2.0
   58    57    67    65   3.62500 -1.0 2.0
   58    57    67    54   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60   -61    65   3.62500 -1.0 2.0
   58    60    63    64   0.84100 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    63   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   60    61    65    67   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65   -67    57   3.62500 -1.0 2.0
   61    65    67    54   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    67   3.62500 -1.0 2.0
   65    67    54    49  -0.11500  1.0 1.0
   65    67    54    49   1.10450 -1.0 2.0
   65    67    54    49  -0.48050  1.0 3.0
   65    67    54    55   1.05000 -1.0 2.0
   66    65    67    57   3.62500 -1.0 2.0
   66    65    67    54   3.62500 -1.0 2.0
   67    57    58    59   3.62500 -1.0 2.0
   67    57   -58    60   3.62500 -1.0 2.0
   54    49    52    53   7.00000 -1.0 2.0
   54    49   -52    56   7.00000 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    50    47   0.65300  1.0 1.0
   39    33    50    47  -0.03850 -1.0 2.0
   39    33    50    47   0.33900  1.0 3.0
   39    33    50    51   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    49    46    47   1.10000 -1.0 2.0
   50    48    47    46   1.10000 -1.0 2.0
   33    47    50    51  10.50000 -1.0 2.0
   46    54    49    52   1.10000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   58    67    57    56   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   61    63    60    58   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   67    66    65    61   1.10000 -1.0 2.0
   65    54    67    57   4.00000 -1.0 2.0
   49    67    54    55  10.50000 -1.0 2.0
END
