* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    226     420
    1     0 S   NP   _N1_     1    28.91597    93.85317   -19.69900
    2     1 S   H    _HN1     2     1.02976   104.52707    46.00982
    3     1 S   H    _H1_     3     1.02832    28.07532   145.00550
    4     1 S   H    _H2_     4     1.02775    82.74380   -61.11477
    5     1 S   CT   _CA1     5     1.50137   134.12651  -175.26186
    6     5 S   HC   _HA1     6     1.09569   105.26975    40.39842
    7     5 S   CO3  _C1_     7     1.53901   112.37241   -79.81038
    8     7 S   O2Z  _O11     8     1.26344   115.07813   -41.56958
    9     7 S   O2Z  _O12     9     1.26255   114.93303   137.65537
   10     5 S   CT   _CB1    10     1.53096   107.37228   158.33886
   11    10 S   HC   HB11    11     1.09815   109.48677   -50.04912
   12    10 S   HC   HB12    12     1.09813   110.23135    66.38717
   13    10 S   CT   _CG1    13     1.53036   112.77869  -171.24891
   14    13 S   HC   HG11    14     1.09515   110.27220   -57.23935
   15    13 S   HC   HG12    15     1.09601   110.32677    61.75280
   16    13 S   C    _CD1    16     1.51836   111.76827  -178.33470
   17    16 S   O    _OE1    17     1.22752   122.91904   -24.87430
   18    16 S   N    _N2_    18     1.38564   111.97208   156.16310
   19    18 S   H    _HN2    19     1.01586   119.10084     2.00164
   20    18 S   CT1  _CA2    20     1.46287   123.51606  -177.61107
   21    20 S   HC   _HA2    21     1.09734   109.36454   -17.93372
   22    20 S   C    _C2_    22     1.53413   108.10087  -133.59400
   23    22 S   O    _O2_    23     1.22994   122.34169  -145.05955
   24    20 S   CT   _CB2    32     1.53613   111.21691   104.37456
   25    24 S   HC   HB21    33     1.09340   109.33042    52.54361
   26    24 S   HC   HB22    34     1.09490   110.34689   171.11498
   27    22 S   N    _N3_    24     1.38538   113.26096    42.28322
   28    27 S   H    _HN3    25     1.01536   118.93582    -0.40251
   29    24 S   S    _SG2    35     1.83089   111.40245   -69.98215
   30    27 S   CT   _CA3    26     1.45451   123.39908   175.12038
   31    30 S   HC   HA31    27     1.09527   109.17742    25.33263
   32    30 S   HC   HA32    28     1.09494   107.12778   142.33828
   33    29 S   CT   _C18    36     1.87510   102.24260   157.32105
   34    30 S   CO3  _C3_    29     1.52937   113.19370   -98.09840
   35    34 S   O2Z  _O31    30     1.26397   115.45051   -43.02753
   36    34 S   O2Z  _O32    31     1.26361   114.95022   137.92071
   37    33 S   CO4  _C17    37     1.53467   106.25835    51.56770
   38    37 S   O    _O36    38     1.22884   122.37504  -101.38890
   39    33 S   CT   _C8_    49     1.54575   110.92062   168.03093
   40    39 S   HC   _H5_    50     1.10216   109.42615  -171.31004
   41    37 S   CA   _C11    39     1.48803   118.02782    76.65109
   42    39 S   CT   _C7_    51     1.54113   113.24981    69.73492
   43    42 S   HC   _H4_    52     1.09631   112.10812   -70.40053
   44    41 S   CA   _C12    40     1.40198   118.62412  -166.70879
   45    44 S   HA   _H10    41     1.08844   120.48264    -1.41056
   46    42 S   CT   _C6_    53     1.53729   111.91751    54.46110
   47    46 S   HC   _H3_    54     1.09793   108.65012    69.86490
   48    42 S   OH   _O38    68     1.43600   108.76755   172.04238
   49    48 S   HO   _H17    69     0.97364   107.15946    67.40770
   50    44 S   CA   _C13    42     1.39864   120.68872   177.85881
   51    46 S   CT   _C5_    55     1.54409   113.04870   -52.83435
   52    46 S   OH   _O39    66     1.43256   107.60851  -175.34844
   53    52 S   HO   _H18    67     0.97130   108.06244  -171.92387
   54    50 S   CA   _C14    43     1.39478   119.28563    -0.12033
   55    54 S   HA   _H11    44     1.08607   121.57608  -179.81025
   56    33 S   CT   _C19    56     1.56066   111.78602   -70.09486
   57    56 S   HC   _H6_    57     1.09570   110.52021    54.15235
   58    51 S   CT   _C4_    60     1.53821   110.85231   174.80808
   59    58 S   HC   _H7_    61     1.09639   110.53110  -175.55397
   60    58 S   HC   _H8_    62     1.09542   111.39493    67.08299
   61    58 S   HC   _H9_    63     1.09446   112.10745   -54.68705
   62    51 S   OH   _O40    64     1.42947   108.45833   -68.84891
   63    62 S   HO   _H19    65     0.97192   107.92188  -178.29751
   64    50 S   OS   _O35    72     1.36948   114.87046  -179.87646
   65    54 S   CA   _C15    45     1.39864   120.11147     0.29805
   66    56 S   OH   _O37    58     1.43699   109.01573   170.78475
   67    66 S   HO   _H16    59     0.97401   107.39082   -70.57460
   68    64 S   CT   _C16    73     1.42283   116.85824   179.95577
   69    68 S   HC   _H13    74     1.09428   107.75153   179.89532
   70    68 S   HC   _H14    75     1.09501   111.13253    62.13424
   71    68 S   HC   _H15    76     1.09500   111.12437   -62.34943
   72    41 S   CA   _C10    46     1.39935   121.26479    11.64024
   73    65 S   OH   _O34    70     1.36968   115.81689   179.62938
   74    73 S   HO   _H12    71     0.97385   108.98343   177.06515
   75    72 S   CO4  _C9_    47     1.48556   119.48666     3.61373
   76    75 S   O    _O33    48     1.22679   120.22757  -168.15189
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  20   2   1   1  15   5  17   8  11  14   7   9   4  16   7   4
   1  10  12   4   1   8   4  10   4   6   3   2   1   2   1   5
   5   1   1   3   2   1   1   4   2   1   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    39    56    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    75    39    40    42    51    56    57    66  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    72    75    76    39    40    42    43    46    51    56    57    66    67    58    62    48  
   35    36  
   36  
    0  
   38    41    44    45    50    65    72    75    39    40    42    51    56    57    66  
   41    44    72    39    56  
   40    42    43    46    47    51    56    57    66    52    48    49    41    65    72    75    76  
   42    43    46    56    48    72    75    76  
   44    45    50    54    65    72    75    76    56    73    64  
   43    46    47    51    56    58    62    52    53    48    49    72    75    76  
   46    47    51    52    48    49    75  
   45    50    54    55    65    72    75    64    68  
   50    54    72    64  
   47    51    56    57    66    58    59    60    61    62    63    52    53    48    49    75  
   51    56    58    62    52    53    48  
   49    51    52    75  
    0  
   54    55    65    72    73    64    68    69    70    71  
   56    57    66    67    58    59    60    61    62    63    52    53  
   53    56    58    62  
    0  
   55    65    72    75    73    74    64    68  
   65    72    73    64  
   57    66    67    58    59    60    61    62    63    75  
   66    67    58    62  
   59    60    61    62    63    66  
   60    61    62  
   61    62  
   62  
   63    66  
    0  
   68    69    70    71    65  
   72    75    76    73    74  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   75    76    73    74  
   74    75  
    0  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.522
   33    39   268.000  1.529
   33    56   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    72   469.000  1.400
   44    45   367.000  1.080
   44    50   469.000  1.400
   50    54   469.000  1.400
   50    64   450.000  1.364
   54    55   367.000  1.080
   54    65   469.000  1.400
   65    72   469.000  1.400
   65    73   450.000  1.364
   72    75   310.000  1.470
   75    76   570.000  1.229
   75    39   317.000  1.522
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    48   320.000  1.410
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    52   320.000  1.410
   51    56   268.000  1.529
   51    58   268.000  1.529
   51    62   320.000  1.410
   56    57   340.000  1.090
   56    66   320.000  1.410
   66    67   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   553.000  0.945
   52    53   553.000  0.945
   48    49   553.000  0.945
   73    74   553.000  0.945
   64    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    39    75    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    56    51    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    66    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    72    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    35.00000  120.00000
   41    44    50    63.00000  120.00000
   41    72    65    63.00000  120.00000
   41    72    75    60.00000  119.52600
   44    50    54    63.00000  120.00000
   44    50    64    70.00000  120.00000
   50    44    45    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    65    63.00000  120.00000
   50    64    68    75.00000  111.00000
   54    65    72    63.00000  120.00000
   54    65    73    70.00000  120.00000
   65    54    55    35.00000  120.00000
   65    72    75    60.00000  119.52600
   65    73    74    35.00000  113.00000
   72    41    44    63.00000  120.00000
   72    75    76    75.00000  123.78400
   72    75    39    65.00000  115.47100
   75    39    40    35.00000  109.50000
   75    39    42    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    75    76    80.00000  120.40000
   39    42    43    37.50000  110.70000
   39    42    46    58.35000  112.70000
   39    42    48    50.00000  109.50000
   42    39    40    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    51    58.35000  112.70000
   42    46    52    50.00000  109.50000
   42    48    49    55.00000  108.50000
   46    42    43    37.50000  110.70000
   46    51    56    58.35000  112.70000
   46    51    58    58.35000  112.70000
   46    51    62    50.00000  109.50000
   46    52    53    55.00000  108.50000
   51    46    47    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    66    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   51    62    63    55.00000  108.50000
   56    33    37    63.00000  111.10000
   56    33    39    58.35000  112.70000
   56    66    67    55.00000  108.50000
   66    56    57    35.00000  109.50000
   58    51    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    51    56    50.00000  109.50000
   62    51    58    50.00000  109.50000
   52    46    47    35.00000  109.50000
   52    46    51    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    42    46    50.00000  109.50000
   73    65    72    70.00000  120.00000
   64    50    54    70.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    39    75   0.56750  1.0 1.0
   29    33    39    75  -0.07550 -1.0 2.0
   29    33    39    75   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    56    51   0.44750  1.0 1.0
   29    33    56    51  -0.17800 -1.0 2.0
   29    33    56    51   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    66   0.56750  1.0 1.0
   29    33    56    66  -0.07550 -1.0 2.0
   29    33    56    66   0.20000  1.0 3.0
   33    37    41    44   2.26350  1.0 1.0
   33    37    41    44   0.76750 -1.0 2.0
   33    37    41    44   0.22500  1.0 3.0
   33    37    41    72   2.26350  1.0 1.0
   33    37    41    72   0.76750 -1.0 2.0
   33    37    41    72   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    46   0.56750  1.0 1.0
   33    39    42    46  -0.07550 -1.0 2.0
   33    39    42    46   0.20000  1.0 3.0
   33    39    42    48   0.86500  1.0 1.0
   33    39    42    48  -0.17500 -1.0 2.0
   33    39    42    48   0.20800  1.0 3.0
   33    56    66    67  -0.11600  1.0 1.0
   33    56    66    67  -0.09450 -1.0 2.0
   33    56    66    67   0.21250  1.0 3.0
   37    33    39    75   0.11950  1.0 1.0
   37    33    39    75   0.20300 -1.0 2.0
   37    33    39    75  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    56    51  -0.95700  1.0 1.0
   37    33    56    51  -0.18200 -1.0 2.0
   37    33    56    51   0.29450  1.0 3.0
   37    33    56    57  -0.11250  1.0 3.0
   37    33    56    66  -0.09450  1.0 1.0
   37    33    56    66  -1.12950 -1.0 2.0
   37    33    56    66   0.54000  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41    44    50   3.62500 -1.0 2.0
   37    41    72    65   3.62500 -1.0 2.0
   37    41   -72    75   3.62500 -1.0 2.0
   38    37    41    44   1.05000 -1.0 2.0
   38    37    41    72   1.05000 -1.0 2.0
   41    44    50    54   3.62500 -1.0 2.0
   41    44    50    64   3.62500 -1.0 2.0
   41    72    75    76   1.05000 -1.0 2.0
   41    72    75    39   2.26350  1.0 1.0
   41    72    75    39   0.76750 -1.0 2.0
   41    72    75    39   0.22500  1.0 3.0
   44    41    72    65   3.62500 -1.0 2.0
   44    41    72    75   3.62500 -1.0 2.0
   44    50    54    55   3.62500 -1.0 2.0
   44    50   -54    65   3.62500 -1.0 2.0
   44    50    64    68   1.63200 -1.0 2.0
   45    44    50    54   3.62500 -1.0 2.0
   45    44    50    64   3.62500 -1.0 2.0
   50    54    65    72   3.62500 -1.0 2.0
   50    54    65    73   3.62500 -1.0 2.0
   50    64    68    69   0.08050  1.0 3.0
   50    64    68    70   0.08050  1.0 3.0
   50    64    68    71   0.08050  1.0 3.0
   54    50    64    68   1.63200 -1.0 2.0
   54    65   -72    41   3.62500 -1.0 2.0
   54    65    72    75   3.62500 -1.0 2.0
   54    65    73    74   0.84100 -1.0 2.0
   55    54    65    72   3.62500 -1.0 2.0
   55    54    65    73   3.62500 -1.0 2.0
   65    72    75    76   1.05000 -1.0 2.0
   65    72    75    39   2.26350  1.0 1.0
   65    72    75    39   0.76750 -1.0 2.0
   65    72    75    39   0.22500  1.0 3.0
   72    41    44    45   3.62500 -1.0 2.0
   72    41   -44    50   3.62500 -1.0 2.0
   72    65    73    74   0.84100 -1.0 2.0
   72    75   -39    33   0.05850 -1.0 2.0
   72    75   -39    33   0.17250  1.0 3.0
   72    75    39    40   0.00000  1.0 1.0
   72    75    39    42   0.05850 -1.0 2.0
   72    75    39    42   0.17250  1.0 3.0
   75    39    42    43  -0.11250  1.0 3.0
   75    39    42    46  -0.95700  1.0 1.0
   75    39    42    46  -0.18200 -1.0 2.0
   75    39    42    46   0.29450  1.0 3.0
   75    39    42    48  -0.09450  1.0 1.0
   75    39    42    48  -1.12950 -1.0 2.0
   75    39    42    48   0.54000  1.0 3.0
   76    75    39    33   0.30150 -1.0 2.0
   76    75    39    40   0.00000  1.0 1.0
   76    75    39    42   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    41   0.05850 -1.0 2.0
   39    33   -37    41   0.17250  1.0 3.0
   39    33    56    51   0.56750  1.0 1.0
   39    33    56    51  -0.07550 -1.0 2.0
   39    33    56    51   0.20000  1.0 3.0
   39    33    56    57   0.15000  1.0 3.0
   39    33    56    66   0.86500  1.0 1.0
   39    33    56    66  -0.17500 -1.0 2.0
   39    33    56    66   0.20800  1.0 3.0
   39    42    46    47   0.15000  1.0 3.0
   39    42   -46    51   0.56750  1.0 1.0
   39    42   -46    51  -0.07550 -1.0 2.0
   39    42   -46    51   0.20000  1.0 3.0
   39    42    46    52   0.86500  1.0 1.0
   39    42    46    52  -0.17500 -1.0 2.0
   39    42    46    52   0.20800  1.0 3.0
   39    42    48    49  -0.11600  1.0 1.0
   39    42    48    49  -0.09450 -1.0 2.0
   39    42    48    49   0.21250  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    46   0.15000  1.0 3.0
   40    39    42    48   0.23400  1.0 3.0
   42    46    51    56   0.56750  1.0 1.0
   42    46    51    56  -0.07550 -1.0 2.0
   42    46    51    56   0.20000  1.0 3.0
   42    46    51    58   0.56750  1.0 1.0
   42    46    51    58  -0.07550 -1.0 2.0
   42    46    51    58   0.20000  1.0 3.0
   42    46    51    62   0.86500  1.0 1.0
   42    46    51    62  -0.17500 -1.0 2.0
   42    46    51    62   0.20800  1.0 3.0
   42    46    52    53  -0.11600  1.0 1.0
   42    46    52    53  -0.09450 -1.0 2.0
   42    46    52    53   0.21250  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    51   0.15000  1.0 3.0
   43    42    46    52   0.23400  1.0 3.0
   43    42    48    49   0.19450  1.0 3.0
   46    42    48    49  -0.11600  1.0 1.0
   46    42    48    49  -0.09450 -1.0 2.0
   46    42    48    49   0.21250  1.0 3.0
   46    51   -56    33   0.56750  1.0 1.0
   46    51   -56    33  -0.07550 -1.0 2.0
   46    51   -56    33   0.20000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    66   0.86500  1.0 1.0
   46    51    56    66  -0.17500 -1.0 2.0
   46    51    56    66   0.20800  1.0 3.0
   46    51    58    59   0.15000  1.0 3.0
   46    51    58    60   0.15000  1.0 3.0
   46    51    58    61   0.15000  1.0 3.0
   46    51    62    63  -0.11600  1.0 1.0
   46    51    62    63  -0.09450 -1.0 2.0
   46    51    62    63   0.21250  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   47    46    51    58   0.15000  1.0 3.0
   47    46    51    62   0.23400  1.0 3.0
   47    46    52    53   0.19450  1.0 3.0
   51    46    52    53  -0.11600  1.0 1.0
   51    46    52    53  -0.09450 -1.0 2.0
   51    46    52    53   0.21250  1.0 3.0
   51    56    66    67  -0.11600  1.0 1.0
   51    56    66    67  -0.09450 -1.0 2.0
   51    56    66    67   0.21250  1.0 3.0
   56    33    37    38   0.30150 -1.0 2.0
   56    33    37    41   0.05850 -1.0 2.0
   56    33    37    41   0.17250  1.0 3.0
   56    33    39    75  -0.95700  1.0 1.0
   56    33    39    75  -0.18200 -1.0 2.0
   56    33    39    75   0.29450  1.0 3.0
   56    33    39    40   0.15000  1.0 3.0
   56    33   -39    42   0.56750  1.0 1.0
   56    33   -39    42  -0.07550 -1.0 2.0
   56    33   -39    42   0.20000  1.0 3.0
   56    51    58    59   0.15000  1.0 3.0
   56    51    58    60   0.15000  1.0 3.0
   56    51    58    61   0.15000  1.0 3.0
   56    51    62    63  -0.11600  1.0 1.0
   56    51    62    63  -0.09450 -1.0 2.0
   56    51    62    63   0.21250  1.0 3.0
   57    56    66    67   0.19450  1.0 3.0
   58    51    56    33   0.56750  1.0 1.0
   58    51    56    33  -0.07550 -1.0 2.0
   58    51    56    33   0.20000  1.0 3.0
   58    51    56    57   0.15000  1.0 3.0
   58    51    56    66   0.86500  1.0 1.0
   58    51    56    66  -0.17500 -1.0 2.0
   58    51    56    66   0.20800  1.0 3.0
   58    51    62    63  -0.11600  1.0 1.0
   58    51    62    63  -0.09450 -1.0 2.0
   58    51    62    63   0.21250  1.0 3.0
   62    51    56    33   0.86500  1.0 1.0
   62    51    56    33  -0.17500 -1.0 2.0
   62    51    56    33   0.20800  1.0 3.0
   62    51    56    57   0.23400  1.0 3.0
   62    51    56    66   3.75450  1.0 1.0
   62    51    58    59   0.23400  1.0 3.0
   62    51    58    60   0.23400  1.0 3.0
   62    51    58    61   0.23400  1.0 3.0
   52    46    51    56   0.86500  1.0 1.0
   52    46    51    56  -0.17500 -1.0 2.0
   52    46    51    56   0.20800  1.0 3.0
   52    46    51    58   0.86500  1.0 1.0
   52    46    51    58  -0.17500 -1.0 2.0
   52    46    51    58   0.20800  1.0 3.0
   52    46    51    62   3.75450  1.0 1.0
   48    42    46    47   0.23400  1.0 3.0
   48    42    46    51   0.86500  1.0 1.0
   48    42    46    51  -0.17500 -1.0 2.0
   48    42    46    51   0.20800  1.0 3.0
   48    42    46    52   3.75450  1.0 1.0
   73    65    72    41   3.62500 -1.0 2.0
   73    65    72    75   3.62500 -1.0 2.0
   64    50    54    55   3.62500 -1.0 2.0
   64    50    54    65   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    72    41    37   4.00000 -1.0 2.0
   50    45    44    41   1.10000 -1.0 2.0
   54    64    50    44   4.00000 -1.0 2.0
   65    55    54    50   1.10000 -1.0 2.0
   72    73    65    54   4.00000 -1.0 2.0
   65    75    72    41   4.00000 -1.0 2.0
   72    39    75    76  10.50000 -1.0 2.0
END
