* LIGAND DATABASE FILE (OPLS2005)
*
001      69    68    119    174     348
    1     0 S   NP   _N1_     1    29.14442    92.28593   -22.67007
    2     1 S   H    _HN1     2     1.02781   105.04859   -71.64490
    3     1 S   H    _H1_     3     1.02956    89.33447    37.19852
    4     1 S   H    _H2_     4     1.02840    20.45909  -172.50401
    5     1 S   CT   _CA1     5     1.50103   128.24691   152.99082
    6     5 S   HC   _HA1     6     1.09571   105.22958    71.32965
    7     5 S   CO3  _C1_     7     1.53762   112.45695   -48.96902
    8     7 S   O2Z  _O11     8     1.26361   114.98748   -43.32948
    9     7 S   O2Z  _O12     9     1.26232   114.92194   135.91285
   10     5 S   CT   _CB1    10     1.53071   107.45355  -170.69141
   11    10 S   HC   HB11    11     1.09830   109.34338   -50.39034
   12    10 S   HC   HB12    12     1.09821   110.43469    66.15063
   13    10 S   CT   _CG1    13     1.53052   112.67438  -171.43349
   14    13 S   HC   HG11    14     1.09575   110.64521   -65.38359
   15    13 S   HC   HG12    15     1.09658   109.85784    53.95387
   16    13 S   C    _CD1    16     1.51726   112.06455   174.37137
   17    16 S   O    _OE1    17     1.22744   123.07314     6.39007
   18    16 S   N    _N2_    18     1.38592   111.88937  -173.95769
   19    18 S   H    _HN2    19     1.01609   119.03311    -1.31284
   20    18 S   CT1  _CA2    20     1.46059   123.26930   177.29094
   21    20 S   HC   _HA2    21     1.09390   108.88781   -16.53501
   22    20 S   C    _C2_    22     1.53387   108.44851  -130.65746
   23    22 S   O    _O2_    23     1.22979   122.26022  -146.18860
   24    20 S   CT   _CB2    32     1.53381   112.26674   106.15530
   25    24 S   HC   HB21    33     1.09664   109.37194    57.65400
   26    24 S   HC   HB22    34     1.09430   111.09288   174.55608
   27    22 S   N    _N3_    24     1.38539   113.12636    41.76039
   28    27 S   H    _HN3    25     1.01539   118.93531    -2.04995
   29    24 S   S    _SG2    35     1.83110   114.82215   -61.92965
   30    27 S   CT   _CA3    26     1.45434   123.63334   173.55177
   31    30 S   HC   HA31    27     1.09500   109.57176    19.19502
   32    30 S   HC   HA32    28     1.09499   107.12465   136.33569
   33    29 S   CT   _C14    36     1.84306   100.99883   -66.85672
   34    33 S   HC   _H4_    37     1.09209   108.67656    46.59821
   35    30 S   CO3  _C3_    29     1.52910   112.55353  -104.37961
   36    35 S   O2Z  _O31    30     1.26431   115.18671   -49.94490
   37    35 S   O2Z  _O32    31     1.26301   115.12749   130.68423
   38    33 S   C    _C15    38     1.52924   106.29682   161.64878
   39    38 S   O    _O34    39     1.22849   123.76564    95.79404
   40    33 S   CT   _C13    43     1.53769   111.88827   -74.61482
   41    40 S   HC   _H3_    44     1.09500   110.97574    56.38958
   42    38 S   N    _N4_    40     1.37737   113.53205   -83.89638
   43    42 S   H    _H18    41     1.01667   122.47266     1.88461
   44    42 S   H    _H19    42     1.01382   120.48159   179.79158
   45    40 S   CO4  _C12    45     1.52973   111.14753   174.24957
   46    45 S   O    _O33    46     1.23177   121.91855   108.26259
   47    40 S   OH   _O35    68     1.42029   112.52687   -62.48271
   48    47 S   HO   _H20    69     0.97431   107.77415   -60.31632
   49    45 S   CT   _C11    47     1.51758   117.26419   -72.02340
   50    49 S   HC   _H16    48     1.09649   107.66933  -124.30159
   51    49 S   HC   _H17    49     1.09616   109.22853    -8.78051
   52    49 S   CT   _C10    50     1.52411   110.98215   113.66619
   53    52 S   HC   _H14    51     1.09735   109.98923    60.50766
   54    52 S   HC   _H15    52     1.09541   110.63522   -55.15593
   55    52 S   CM   _C9_    53     1.50103   111.40608  -179.27611
   56    55 S   HC   _H13    54     1.08861   115.66971   -86.21023
   57    55 S   CM   _C8_    55     1.34278   126.78691    94.40620
   58    57 S   HC   _H12    56     1.08912   117.44697   179.53564
   59    57 S   CT   _C7_    57     1.50084   126.84093    -2.88670
   60    59 S   HC   _H10    58     1.09298   111.40071    -6.54023
   61    59 S   HC   _H11    59     1.09659   108.17850  -122.64552
   62    59 S   CM   _C6_    60     1.50027   111.92660   114.77859
   63    62 S   HC   _H9_    61     1.08757   116.83532   -61.42181
   64    62 S   CM   _C5_    62     1.34138   123.68533   120.16865
   65    64 S   HC   _H8_    63     1.08741   119.58331    -0.93356
   66    64 S   CT   _C4_    64     1.49244   123.90694   178.84513
   67    66 S   HC   _H5_    65     1.09436   109.87918  -120.39176
   68    66 S   HC   _H6_    66     1.09455   112.28592    -0.01978
   69    66 S   HC   _H7_    67     1.09421   109.91747   120.47461
  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
  13   7   2   1   1   8   4  10   5   2   1   1  10   5   2   1
   8   5   4   7   4   3   7   3   7   4   7   4   3   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    40    41    45    46    49    47    48  
   38    39    42    40    41    45    47  
   36    37  
   37  
    0  
   39    42    43    44    40    41    45    47  
   42    43    44    40  
   41    45    46    49    50    51    52    47    48    42  
   45    46    49    47    48  
   43    44  
   44  
    0  
   46    49    50    51    52    53    54    55    47    48  
   49    50    51    52    47  
   48    49  
    0  
   50    51    52    53    54    55    56    57  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59    60    61    62    63    64  
   59    60    61    62  
   60    61    62    63    64    65    66  
   61    62    63    64  
   62    63    64  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   44   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    43   434.000  1.010
   42    44   434.000  1.010
   40    41   340.000  1.090
   40    45   317.000  1.522
   40    47   320.000  1.410
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.510
   55    56   340.000  1.080
   55    57   549.000  1.340
   57    58   340.000  1.080
   57    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   47    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    45    63.00000  111.10000
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  119.80000
   38    42    44    35.00000  119.80000
   42    38    39    80.00000  122.90000
   44    42    43    35.00000  120.00000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    49    70.00000  116.00000
   40    47    48    55.00000  108.50000
   45    40    41    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    63.00000  111.10000
   49    45    46    80.00000  120.40000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    70.00000  112.02700
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    35.00000  117.00000
   52    55    57    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  120.00000
   55    57    59    70.00000  124.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    70.00000  110.12100
   59    57    58    35.00000  117.00000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    35.00000  109.50000
   66    64    65    35.00000  117.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   47    40    41    35.00000  109.50000
   47    40    45    90.00000  109.61100
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    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
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   2.45000 -1.0 2.0
   33    38    42    44   2.45000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    49   0.60050  1.0 1.0
   33    40    45    49   0.05600 -1.0 2.0
   33    40    45    49   0.26150  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    45   0.11950  1.0 1.0
   38    33    40    45   0.20300 -1.0 2.0
   38    33    40    45  -0.70800  1.0 3.0
   38    33    40    47  -0.09450  1.0 1.0
   38    33    40    47  -1.12950 -1.0 2.0
   38    33    40    47   0.54000  1.0 3.0
   39    38    42    43   2.45000 -1.0 2.0
   39    38    42    44   2.45000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   1.39750  1.0 1.0
   40    33    38    42  -0.07950 -1.0 2.0
   40    33    38    42  -0.18750  1.0 3.0
   40    45    49    50   0.00000  1.0 1.0
   40    45    49    51   0.00000  1.0 1.0
   40    45    49    52   0.60050  1.0 1.0
   40    45    49    52   0.05600 -1.0 2.0
   40    45    49    52   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    49   0.00000  1.0 1.0
   41    40    47    48   0.19450  1.0 3.0
   45    40    47    48   0.91850  1.0 1.0
   45    40    47    48   0.57950  1.0 3.0
   45    49    52    53  -0.11250  1.0 3.0
   45    49    52    54  -0.11250  1.0 3.0
   45    49    52    55  -0.98800  1.0 1.0
   45    49    52    55   0.48800 -1.0 2.0
   45    49    52    55   0.76800  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    52   0.30150 -1.0 2.0
   49    52    55    56   0.00000  1.0 1.0
   49    52    55    57   0.09850  1.0 1.0
   49    52    55    57   0.15250 -1.0 2.0
   49    52    55    57  -0.50650  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   7.00000 -1.0 2.0
   52    55    57    59   7.00000 -1.0 2.0
   53    52    55    56   0.33100  1.0 3.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.33100  1.0 3.0
   54    52    55    57   0.00000  1.0 1.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    61   0.00000  1.0 1.0
   55    57    59    62  -0.28300  1.0 1.0
   55    57    59    62   0.26700 -1.0 2.0
   55    57    59    62  -0.63300  1.0 3.0
   56    55    57    58   7.00000 -1.0 2.0
   56    55    57    59   7.00000 -1.0 2.0
   57    59    62    63   0.00000  1.0 1.0
   57    59    62    64  -0.28300  1.0 1.0
   57    59    62    64   0.26700 -1.0 2.0
   57    59    62    64  -0.63300  1.0 3.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    61   0.33100  1.0 3.0
   58    57    59    62   0.00000  1.0 1.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62    64    66   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    66    69   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.33100  1.0 3.0
   65    64    66    69   0.33100  1.0 3.0
   47    40    45    46   0.30150 -1.0 2.0
   47    40    45    49   0.55300  1.0 1.0
   47    40    45    49   1.25850 -1.0 2.0
   47    40    45    49  -0.23600  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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   44    38    42    43   1.00000 -1.0 2.0
   40    49    45    46  10.50000 -1.0 2.0
   52    56    55    57  15.00000 -1.0 2.0
   59    58    57    55  15.00000 -1.0 2.0
   59    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
END
