* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    148    238     433
    1     0 S   NP   _N1_     1    28.26365    98.44043   -20.84730
    2     1 S   H    _HN1     2     1.02963    68.99840     3.53402
    3     1 S   H    _H1_     3     1.02834    46.41781   146.42312
    4     1 S   H    _H2_     4     1.02775    95.51755  -104.03373
    5     1 S   CT   _CA1     5     1.50145   149.87529    98.18982
    6     5 S   HC   _HA1     6     1.09567   105.20869    94.41727
    7     5 S   CO3  _C1_     7     1.53737   112.44093   -25.77494
    8     7 S   O2Z  _O11     8     1.26323   115.03851   -40.12789
    9     7 S   O2Z  _O12     9     1.26281   115.06249   139.15909
   10     5 S   CT   _CB1    10     1.53121   107.41097  -147.54424
   11    10 S   HC   HB11    11     1.09826   109.35122   -49.19195
   12    10 S   HC   HB12    12     1.09816   110.39740    67.38861
   13    10 S   CT   _CG1    13     1.53009   112.72854  -170.22805
   14    13 S   HC   HG11    14     1.09556   110.53490   -64.99973
   15    13 S   HC   HG12    15     1.09659   109.87992    54.16922
   16    13 S   C    _CD1    16     1.51881   112.36583   174.54353
   17    16 S   O    _OE1    17     1.22736   123.31898     1.67023
   18    16 S   N    _N2_    18     1.38522   111.64887  -178.46405
   19    18 S   H    _HN2    19     1.01567   118.89527     4.61142
   20    18 S   CT1  _CA2    20     1.45956   123.12930   177.68336
   21    20 S   HC   _HA2    21     1.09719   109.07175    21.48622
   22    20 S   C    _C2_    22     1.52881   106.98114   -95.57280
   23    22 S   O    _O2_    23     1.22976   123.04095   -26.25449
   24    20 S   CT   _CB2    32     1.53117   111.76706   144.70835
   25    24 S   HC   HB21    33     1.09603   109.87323    53.43355
   26    24 S   HC   HB22    34     1.09507   110.98770   172.12680
   27    22 S   N    _N3_    24     1.38486   112.55794   156.43220
   28    27 S   H    _HN3    25     1.01657   120.36435    -2.03548
   29    24 S   S    _SG2    35     1.82509   110.81225   -68.16849
   30    27 S   CT   _CA3    26     1.45362   122.48415   178.68359
   31    30 S   HC   HA31    27     1.09566   107.80374   -55.99291
   32    30 S   HC   HA32    28     1.09563   107.61724    60.34188
   33    29 S   CT   _C18    36     1.82016    98.98685   145.52201
   34    33 S   HC   _H3_    37     1.09480   109.48841   -54.64887
   35    33 S   HC   _H4_    38     1.09447   107.92430    61.78413
   36    30 S   CO3  _C3_    29     1.52892   114.32069  -177.88770
   37    36 S   O2Z  _O31    30     1.26337   116.05030     0.15066
   38    36 S   O2Z  _O32    31     1.26433   114.41526  -179.89532
   39    33 S   CM   _C4_    39     1.50161   110.86833  -175.45222
   40    39 S   CMA  _C5_    40     1.35071   127.07134  -116.85127
   41    40 S   OM   _O16    41     1.26293   128.11546     0.34207
   42    40 S   OS   _O17    42     1.42113   109.58037   178.68225
   43    42 S   CT   _C11    43     1.44215   106.03869    17.97296
   44    43 S   HC   _H28    44     1.09594   106.41976    92.49302
   45    43 S   CT   _C7_    45     1.52482   107.86197  -148.92464
   46    45 S   HC   _H23    46     1.09957   108.53431    61.32406
   47    45 S   HC   _H24    47     1.09923   108.04515   -51.26184
   48    39 S   CT   _C8_    62     1.50189   122.05590    62.45762
   49    48 S   HC   _H25    63     1.09789   107.45513   -79.12776
   50    45 S   CT   _C10    48     1.54239   117.02599  -174.05611
   51    50 S   HC   _H27    49     1.09609   108.41236    71.64054
   52    50 S   CT   _C9_    50     1.54729   113.94117   -50.66601
   53    52 S   HC   _H26    51     1.09966   107.95154   -52.69521
   54    50 S   CT   _C16    71     1.54191   106.70749  -174.07537
   55    54 S   HC   _H32    72     1.09549   111.14506    69.75742
   56    54 S   HC   _H33    73     1.09587   110.81414   -50.26567
   57    54 S   HC   _H34    74     1.09350   111.94587  -169.16813
   58    52 S   C3T  _C12    52     1.52290   113.47076  -170.82806
   59    58 S   HC   _H29    53     1.07743   119.00383   -14.58084
   60    58 S   C3T  _C13    54     1.49319   108.73979  -152.88176
   61    60 S   HC   _H30    55     1.07717   120.55693   141.71965
   62    60 S   CT   _C14    56     1.49640   107.59753     2.00993
   63    62 S   HC   _H31    57     1.09704   109.39592   -95.71066
   64    58 S   O3T  _O18    70     1.42841   115.37556   143.80499
   65    52 S   CT   _C15    58     1.57647   117.34583    70.72537
   66    62 S   OH   _O19    68     1.41737   111.54067   144.45880
   67    66 S   HO   _H40    69     0.97649   107.06923    66.54511
   68    65 S   CT   _C6_    59     1.54977   115.68390   -79.22610
   69    68 S   HC   _H21    60     1.09777   109.23718   -99.09950
   70    68 S   HC   _H22    61     1.09893   109.52214   147.27496
   71    65 S   CT   _C17    64     1.55241   111.96162    46.33892
   72    71 S   HC   _H35    65     1.09522   112.01151    53.14311
   73    71 S   HC   _H36    66     1.09249   112.15154   -67.56155
   74    71 S   HC   _H37    67     1.09600   111.34602   173.17778
  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   8   3   9  14   7  15   6   5   9
   4  15   8  21   9   5   2   1   1  10   5   9   5  12   6   2
   9   3   1   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    68    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    65    68    69    70    48    49  
   41    42    43    44    45    68    48    49  
   42    43    48  
   43    44    45    46    47    50    68    48    49  
   44    45    46    47    50    51    52    65    68    69    70    48    49    54  
   45    46    47    50    68    48    49  
   46    47    50    51    52    53    58    65    68    48    49    54    55    56    57  
   47    50    51    52    48    54  
   50    51    52    48    54  
   49    71    50    52    62    65    68    69    70  
   65    68    69    70  
   51    52    53    58    59    60    62    65    68    71    64    54    55    56    57  
   52    53    58    65    54    55    56    57  
   53    58    59    60    61    62    63    65    68    69    70    71    72    73    74    66    64    54    55    56    57  
   58    59    60    62    65    68    71    64    54  
   55    56    57    58    65  
   56    57  
   57  
    0  
   59    60    61    62    63    65    68    71    66    64  
   60    61    62    65    64  
   61    62    63    65    68    71    66    67    64  
   62    63    65    66    64  
   63    65    68    69    70    71    72    73    74    66    67    64  
   65    68    71    66    67    64  
   65    66  
   68    69    70    71    72    73    74    66    67  
   67    68    71  
    0  
   69    70    71    72    73    74  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    58   275.000  1.510
   52    65   268.000  1.529
   58    59   340.000  1.088
   58    60   260.000  1.509
   58    64   335.000  1.432
   60    61   340.000  1.088
   60    62   275.000  1.510
   60    64   335.000  1.432
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    66   320.000  1.410
   65    68   268.000  1.529
   65    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    48   268.000  1.529
   48    49   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   66    67   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    48    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    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    68    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    68    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    58.35000  112.70000
   45    50    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    58    70.00000  112.37300
   50    52    65    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    40.00000  115.04500
   52    58    60    60.00000  120.94000
   52    58    64    80.00000  116.47100
   52    65    62    58.35000  112.70000
   52    65    68    58.35000  112.70000
   52    65    71    58.35000  112.70000
   58    52    53    45.00000  109.38400
   58    60    61    37.50000  117.20000
   58    60    62    60.00000  120.94000
   58    60    64    15.00000   60.43100
   58    64    60    15.00000   59.14900
   60    58    59    37.50000  117.20000
   60    62    63    45.00000  109.38400
   60    62    65    70.00000  112.37300
   60    62    66    50.00000  109.50000
   62    60    61    40.00000  115.04500
   62    65    68    58.35000  112.70000
   62    65    71    58.35000  112.70000
   62    66    67    55.00000  108.50000
   65    52    53    37.50000  110.70000
   65    52    58    70.00000  112.37300
   65    62    63    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    48    58.35000  112.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   68    48    49    37.50000  110.70000
   70    68    69    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    68    69    37.50000  110.70000
   48    68    70    37.50000  110.70000
   71    65    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    65    50.00000  109.50000
   64    58    59    50.00000  114.27700
   64    58    60    15.00000   60.43100
   64    60    61    50.00000  114.27700
   64    60    62    80.00000  116.47100
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    68   0.46850  1.0 1.0
   33    39    48    68   0.08550 -1.0 2.0
   33    39    48    68   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    68   0.09850  1.0 1.0
   40    39    48    68   0.15250 -1.0 2.0
   40    39    48    68  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    68   0.62750  1.0 1.0
   42    43    48    68  -0.30950 -1.0 2.0
   42    43    48    68   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.56750  1.0 1.0
   43    45    50    52  -0.07550 -1.0 2.0
   43    45    50    52   0.20000  1.0 3.0
   43    45    50    54   0.56750  1.0 1.0
   43    45    50    54  -0.07550 -1.0 2.0
   43    45    50    54   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    68   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    68   0.56750  1.0 1.0
   45    43    48    68  -0.07550 -1.0 2.0
   45    43    48    68   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    52    53   0.15000  1.0 3.0
   45    50    52    58   0.47050  1.0 1.0
   45    50    52    58   0.03900 -1.0 2.0
   45    50    52    58   0.20100  1.0 3.0
   45    50    52    65   0.56750  1.0 1.0
   45    50    52    65  -0.07550 -1.0 2.0
   45    50    52    65   0.20000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    57   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.07850  1.0 1.0
   50    52    58    60  -0.03950 -1.0 2.0
   50    52    58    60   0.67350  1.0 3.0
   50    52    58    64   0.02550  1.0 1.0
   50    52    58    64  -0.02600 -1.0 2.0
   50    52    58    64   1.20400  1.0 3.0
   50    52    65    62   0.56750  1.0 1.0
   50    52    65    62  -0.07550 -1.0 2.0
   50    52    65    62   0.20000  1.0 3.0
   50    52    65    68   0.56750  1.0 1.0
   50    52    65    68  -0.07550 -1.0 2.0
   50    52    65    68   0.20000  1.0 3.0
   50    52    65    71   0.56750  1.0 1.0
   50    52    65    71  -0.07550 -1.0 2.0
   50    52    65    71   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    52    65   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   52    58    60    61   0.15000  1.0 3.0
   52    58   -60    62   0.56750  1.0 1.0
   52    58   -60    62  -0.07550 -1.0 2.0
   52    58   -60    62   0.20000  1.0 3.0
   52    58   -60    64   0.02550  1.0 1.0
   52    58   -60    64  -0.02600 -1.0 2.0
   52    58   -60    64   1.20400  1.0 3.0
   52    58   -64    60   0.06250  1.0 1.0
   52    58   -64    60  -0.01100 -1.0 2.0
   52    58   -64    60   0.28050  1.0 3.0
   52    65    68    69   0.15000  1.0 3.0
   52    65    68    70   0.15000  1.0 3.0
   52    65    68    48   0.56750  1.0 1.0
   52    65    68    48  -0.07550 -1.0 2.0
   52    65    68    48   0.20000  1.0 3.0
   52    65    71    72   0.15000  1.0 3.0
   52    65    71    73   0.15000  1.0 3.0
   52    65    71    74   0.15000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    64   0.23400  1.0 3.0
   53    52    65    62   0.15000  1.0 3.0
   53    52    65    68   0.15000  1.0 3.0
   53    52    65    71   0.15000  1.0 3.0
   58    52   -65    62   0.47050  1.0 1.0
   58    52   -65    62   0.03900 -1.0 2.0
   58    52   -65    62   0.20100  1.0 3.0
   58    52    65    68   0.47050  1.0 1.0
   58    52    65    68   0.03900 -1.0 2.0
   58    52    65    68   0.20100  1.0 3.0
   58    52    65    71   0.47050  1.0 1.0
   58    52    65    71   0.03900 -1.0 2.0
   58    52    65    71   0.20100  1.0 3.0
   58    60    62    63   0.15000  1.0 3.0
   58    60   -62    65   0.07850  1.0 1.0
   58    60   -62    65  -0.03950 -1.0 2.0
   58    60   -62    65   0.67350  1.0 3.0
   58    60    62    66   0.86500  1.0 1.0
   58    60    62    66  -0.17500 -1.0 2.0
   58    60    62    66   0.20800  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58   -60    64   0.23400  1.0 3.0
   59    58   -64    60   0.36800  1.0 3.0
   60    62   -65    52   0.47050  1.0 1.0
   60    62   -65    52   0.03900 -1.0 2.0
   60    62   -65    52   0.20100  1.0 3.0
   60    62    65    68   0.47050  1.0 1.0
   60    62    65    68   0.03900 -1.0 2.0
   60    62    65    68   0.20100  1.0 3.0
   60    62    65    71   0.47050  1.0 1.0
   60    62    65    71   0.03900 -1.0 2.0
   60    62    65    71   0.20100  1.0 3.0
   60    62    66    67  -0.11600  1.0 1.0
   60    62    66    67  -0.09450 -1.0 2.0
   60    62    66    67   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    66   0.23400  1.0 3.0
   61    60   -64    58   0.36800  1.0 3.0
   62    60   -64    58   0.06250  1.0 1.0
   62    60   -64    58  -0.01100 -1.0 2.0
   62    60   -64    58   0.28050  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70   0.15000  1.0 3.0
   62    65    68    48   0.56750  1.0 1.0
   62    65    68    48  -0.07550 -1.0 2.0
   62    65    68    48   0.20000  1.0 3.0
   62    65    71    72   0.15000  1.0 3.0
   62    65    71    73   0.15000  1.0 3.0
   62    65    71    74   0.15000  1.0 3.0
   63    62    65    52   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    71   0.15000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   65    52    58    59   0.15000  1.0 3.0
   65    52   -58    60   0.07850  1.0 1.0
   65    52   -58    60  -0.03950 -1.0 2.0
   65    52   -58    60   0.67350  1.0 3.0
   65    52    58    64   0.02550  1.0 1.0
   65    52    58    64  -0.02600 -1.0 2.0
   65    52    58    64   1.20400  1.0 3.0
   65    62    66    67  -0.11600  1.0 1.0
   65    62    66    67  -0.09450 -1.0 2.0
   65    62    66    67   0.21250  1.0 3.0
   65    68    48    39   0.34400  1.0 1.0
   65    68    48    39   0.09450 -1.0 2.0
   65    68    48    39   0.11100  1.0 3.0
   65    68    48    43   0.56750  1.0 1.0
   65    68    48    43  -0.07550 -1.0 2.0
   65    68    48    43   0.20000  1.0 3.0
   65    68    48    49   0.15000  1.0 3.0
   68    65    71    72   0.15000  1.0 3.0
   68    65    71    73   0.15000  1.0 3.0
   68    65    71    74   0.15000  1.0 3.0
   69    68    48    39   0.15000  1.0 3.0
   69    68    48    43   0.15000  1.0 3.0
   69    68    48    49   0.15000  1.0 3.0
   70    68    48    39   0.15000  1.0 3.0
   70    68    48    43   0.15000  1.0 3.0
   70    68    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   71    65    68    69   0.15000  1.0 3.0
   71    65    68    70   0.15000  1.0 3.0
   71    65    68    48   0.56750  1.0 1.0
   71    65    68    48  -0.07550 -1.0 2.0
   71    65    68    48   0.20000  1.0 3.0
   66    62    65    52   0.86500  1.0 1.0
   66    62    65    52  -0.17500 -1.0 2.0
   66    62    65    52   0.20800  1.0 3.0
   66    62    65    68   0.86500  1.0 1.0
   66    62    65    68  -0.17500 -1.0 2.0
   66    62    65    68   0.20800  1.0 3.0
   66    62    65    71   0.86500  1.0 1.0
   66    62    65    71  -0.17500 -1.0 2.0
   66    62    65    71   0.20800  1.0 3.0
   64    58   -60    61   0.23400  1.0 3.0
   64    58   -60    62   0.02550  1.0 1.0
   64    58   -60    62  -0.02600 -1.0 2.0
   64    58   -60    62   1.20400  1.0 3.0
   64    60    62    63   0.23400  1.0 3.0
   64    60   -62    65   0.02550  1.0 1.0
   64    60   -62    65  -0.02600 -1.0 2.0
   64    60   -62    65   1.20400  1.0 3.0
   64    60    62    66   3.69350  1.0 1.0
   64    60    62    66  -1.82950 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    58   0.47050  1.0 1.0
   54    50    52    58   0.03900 -1.0 2.0
   54    50    52    58   0.20100  1.0 3.0
   54    50    52    65   0.56750  1.0 1.0
   54    50    52    65  -0.07550 -1.0 2.0
   54    50    52    65   0.20000  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
