* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    227     413
    1     0 S   NP   _N1_     1    28.56185    92.89404   -25.45168
    2     1 S   H    _HN1     2     1.02797   114.06442  -111.52619
    3     1 S   H    _H1_     3     1.02944    91.20919    -0.75796
    4     1 S   H    _H2_     4     1.02824    15.92966   178.30349
    5     1 S   CT   _CA1     5     1.50144   118.33497   113.31082
    6     5 S   HC   _HA1     6     1.09573   105.15658    74.71995
    7     5 S   CO3  _C1_     7     1.53756   112.37492   -45.50750
    8     7 S   O2Z  _O11     8     1.26382   115.00686   -44.16959
    9     7 S   O2Z  _O12     9     1.26222   114.93724   134.72059
   10     5 S   CT   _CB1    10     1.53040   107.38445  -167.32252
   11    10 S   HC   HB11    11     1.09849   109.34446   -48.99910
   12    10 S   HC   HB12    12     1.09810   110.47794    67.57286
   13    10 S   CT   _CG1    13     1.53053   112.67861  -169.89045
   14    13 S   HC   HG11    14     1.09561   110.81490   -67.63983
   15    13 S   HC   HG12    15     1.09661   109.66533    51.64114
   16    13 S   C    _CD1    16     1.51821   111.70664   172.19785
   17    16 S   O    _OE1    17     1.22787   123.05129    16.40984
   18    16 S   N    _N2_    18     1.38604   112.03316  -163.70605
   19    18 S   H    _HN2    19     1.01627   119.14100     0.29674
   20    18 S   CT1  _CA2    20     1.46245   123.33219   176.23288
   21    20 S   HC   _HA2    21     1.09755   109.16574     9.18911
   22    20 S   C    _C2_    22     1.53735   109.38584  -106.23731
   23    22 S   O    _O2_    23     1.23098   122.10001  -151.94443
   24    20 S   CT   _CB2    32     1.53443   111.53420   131.01732
   25    24 S   HC   HB21    33     1.09428   109.28219    55.27706
   26    24 S   HC   HB22    34     1.09327   109.84455   174.45907
   27    22 S   N    _N3_    24     1.38298   113.98465    35.94483
   28    27 S   H    _HN3    25     1.01515   119.61736    -4.50433
   29    24 S   S    _SG2    35     1.82553   111.02654   -65.23775
   30    27 S   CT   _CA3    26     1.45279   123.31044   176.95342
   31    30 S   HC   HA31    27     1.09554   107.66791   -59.85019
   32    30 S   HC   HA32    28     1.09551   107.82553    56.58912
   33    29 S   CT   _C18    36     1.85706   102.09175  -175.05668
   34    30 S   CO3  _C3_    29     1.52996   114.01009   178.33587
   35    34 S   O2Z  _O31    30     1.26400   116.09483    -4.02166
   36    34 S   O2Z  _O32    31     1.26432   114.45270   175.97192
   37    33 S   CM   _C13    37     1.51539   105.92297  -167.71606
   38    37 S   CM   _C14    38     1.33876   125.84730   -94.74817
   39    38 S   HC   _H13    39     1.08318   122.59315  -178.02910
   40    37 S   CT   _C12    47     1.49494   109.48956    91.30356
   41    40 S   HC   _H11    48     1.09553   112.37330   146.80781
   42    40 S   HC   _H12    49     1.09610   110.03781   -92.97492
   43    38 S   CO4  _C15    40     1.47472   119.26936     2.40290
   44    43 S   O    _O33    41     1.22080   122.67936   172.38477
   45    40 S   CT1  _C11    50     1.52885   102.81402    27.63447
   46    45 S   HC   _H4_    51     1.09803   109.46598   101.21253
   47    43 S   CO4  _C16    42     1.51014   117.74315    -8.26676
   48    47 S   O    _O34    43     1.22214   119.04254   166.85391
   49    33 S   NE   _N5_    52     1.47880   113.03800   -57.09925
   50    45 S   CO3  _C19    74     1.53291   107.79110  -138.44816
   51    50 S   O2Z  _O36    75     1.26336   116.75352    75.34084
   52    50 S   O2Z  _O35    76     1.26610   114.23149  -103.69788
   53    33 S   CT   _C17    44     1.53391   112.20190    72.66067
   54    53 S   HC   _H14    45     1.09491   112.22250   -52.60778
   55    53 S   HC   _H15    46     1.09840   111.03767  -171.76789
   56    49 S   CM   _C10    53     1.39098   124.79571    89.85990
   57    56 S   HC   _H10    54     1.08363   111.02925    -7.74577
   58    56 S   CM   _C9_    55     1.34248   129.87726   171.35773
   59    58 S   HC   _H9_    56     1.08789   118.49631    -1.06533
   60    58 S   CM   _C8_    57     1.45936   126.20583  -179.57664
   61    60 S   CM   _C7_    58     1.34837   119.96757   169.65058
   62    61 S   HC   _H8_    59     1.08589   120.72456     0.56614
   63    61 S   CM   _C6_    60     1.44616   121.75679  -177.48666
   64    63 S   NE   _N4_    61     1.37675   118.40330    -9.47422
   65    64 S   H    _H7_    62     1.01605   115.32595  -174.56711
   66    63 S   CMA  _C20    71     1.53022   120.63939   169.81636
   67    66 S   OM   _O38    72     1.26520   122.08376   -24.30786
   68    66 S   OM   _O37    73     1.26563   120.38873   156.75699
   69    64 S   CT1  _C5_    63     1.45132   124.34424    -8.25550
   70    69 S   HC   _H3_    64     1.09787   108.64577   148.13939
   71    60 S   CT   _C4_    65     1.52035   119.91170    -9.66609
   72    71 S   HC   _H5_    66     1.09669   110.76534   -36.55429
   73    71 S   HC   _H6_    67     1.09880   107.31051    79.42343
   74    69 S   CO3  _C21    68     1.54294   106.87881   -97.63261
   75    74 S   O2Z  _O40    69     1.26332   116.69415   110.23649
   76    74 S   O2Z  _O39    70     1.26783   114.56919   -71.26964
  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  11   5   4   3
  19   2   1   1  16  11   4  11   5   4   6   3   9   5   5   3
  11   3   1   1   3   1   1   6   3   9   3  11  11   4   9  12
   5   3   1   1   7   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    53    54    55    40    45    49    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    47    48    53    54    55    40    41    42    45    46    49    56    57    58    50  
   35    36  
   36  
    0  
   38    39    43    44    47    53    54    55    40    41    42    45    46    49    56    50  
   39    43    44    47    48    53    40    41    42    45    49  
   43    44    47    40  
   41    42    45    46    49    56    50    51    52    43    53  
   42    45    46    49    50  
   45    46    49    50  
   44    47    48    53    54    55  
   47    48    53  
   46    49    56    57    58    50    51    52    53  
   49    56    50    51    52  
   48    53    54    55    49  
   53    54    55  
   56    57    58    59    60    50    51    52    53    54    55  
   51    52    56  
   52  
    0  
   54    55    56  
   55  
    0  
   57    58    59    60    61    71  
   58    59    60  
   59    60    61    62    63    69    71    72    73  
   60    61    71  
   61    62    63    64    69    70    71    72    73    74    66  
   62    63    64    65    69    71    72    73    66    67    68  
   63    64    71    66  
   64    65    69    70    71    74    66    67    68  
   65    69    70    71    72    73    74    75    76    66    67    68  
   69    70    71    74    66  
   67    68    69  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74  
   74  
   75    76  
   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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   64   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   68   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    49   382.000  1.448
   37    38   549.000  1.340
   37    40   317.000  1.510
   38    39   340.000  1.080
   38    43   320.000  1.462
   43    44   570.000  1.229
   43    47   250.000  1.523
   47    48   570.000  1.229
   47    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    49   382.000  1.448
   45    50   317.000  1.522
   49    56   425.000  1.378
   56    57   340.000  1.080
   56    58   549.000  1.340
   58    59   340.000  1.080
   58    60   380.000  1.444
   60    61   549.000  1.340
   60    71   317.000  1.510
   61    62   340.000  1.080
   61    63   380.000  1.444
   63    64   425.000  1.378
   63    66   465.000  1.376
   64    65   434.000  1.010
   64    69   382.000  1.448
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   74    75   656.000  1.250
   74    76   656.000  1.250
   66    67   745.000  1.250
   66    68   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    49    80.00000  108.62000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    53    47    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    49    45    50.00000  115.00000
   33    49    56    50.00000  121.00000
   37    38    39    35.00000  120.00000
   37    38    43    65.00000  118.96000
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    45    70.00000  112.02700
   38    43    44    80.00000  123.72100
   38    43    47    65.00000  116.00000
   43    38    39    40.00000  117.72500
   43    47    48    80.00000  119.30300
   43    47    53    65.00000  115.45000
   47    43    44    80.00000  119.30300
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   53    33    37    70.00000  112.02700
   53    47    48    80.00000  120.40000
   55    53    54    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    45    46    37.50000  110.70000
   40    45    49    80.00000  111.61500
   40    45    50    63.00000  111.10000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    49    56    50.00000  121.00000
   45    50    51    70.00000  117.00000
   45    50    52    70.00000  117.00000
   49    33    37    80.00000  112.42400
   49    33    53    80.00000  111.61500
   49    45    46    35.00000  109.50000
   49    56    57    50.00000  112.30800
   49    56    58    70.00000  124.03900
   56    58    59    35.00000  120.00000
   56    58    60    70.00000  123.01800
   58    56    57    35.00000  120.00000
   58    60    61    70.00000  123.01800
   58    60    71    70.00000  124.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    63    70.00000  123.01800
   60    71    69    70.00000  112.02700
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   61    63    64    70.00000  124.03900
   61    63    66    70.00000  117.34000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  114.50000
   63    64    69    50.00000  121.00000
   63    66    67    65.00000  137.10300
   63    66    68    65.00000  137.10300
   64    69    70    35.00000  109.50000
   64    69    71    80.00000  111.61500
   64    69    74    63.00000  110.10000
   69    64    65    35.00000  112.50000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    74    75    70.00000  117.00000
   69    74    76    70.00000  117.00000
   71    60    61    70.00000  124.00000
   71    69    70    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    63.00000  111.10000
   76    74    75    80.00000  126.00000
   66    63    64    70.00000  124.03900
   68    66    67    65.00000  121.00000
   50    45    46    35.00000  109.50000
   50    45    49    63.00000  110.10000
   52    50    51    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    53    47   0.56750  1.0 1.0
   29    33    53    47  -0.07550 -1.0 2.0
   29    33    53    47   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    49    45   0.00000  1.0 1.0
   29    33    49    56  -0.12500  1.0 1.0
   29    33    49    56  -0.12500 -1.0 2.0
   29    33    49    56   0.25000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    43   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    42   0.34800  1.0 3.0
   33    37   -40    45   0.46850  1.0 1.0
   33    37   -40    45   0.08550 -1.0 2.0
   33    37   -40    45   0.09800  1.0 3.0
   33    49    56    57   0.00000  1.0 1.0
   33    49    56    58  -0.54700  1.0 1.0
   33    49    56    58   1.23000 -1.0 2.0
   37    33    53    47  -0.98800  1.0 1.0
   37    33    53    47   0.48800 -1.0 2.0
   37    33    53    47   0.76800  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33   -49    45   0.00000  1.0 1.0
   37    33    49    56  -0.12500  1.0 1.0
   37    33    49    56  -0.12500 -1.0 2.0
   37    33    49    56   0.25000  1.0 3.0
   37    38    43    44   1.00000 -1.0 2.0
   37    38   -43    47   0.50400  1.0 1.0
   37    38   -43    47   1.60000 -1.0 2.0
   37    38   -43    47  -0.01800  1.0 3.0
   37    40    45    46   0.15000  1.0 3.0
   37    40   -45    49   0.21700  1.0 1.0
   37    40   -45    49   0.68550 -1.0 2.0
   37    40   -45    49  -0.27950  1.0 3.0
   37    40    45    50  -0.98800  1.0 1.0
   37    40    45    50   0.48800 -1.0 2.0
   37    40    45    50   0.76800  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    45   0.09850  1.0 1.0
   38    37    40    45   0.15250 -1.0 2.0
   38    37    40    45  -0.50650  1.0 3.0
   38    43    47    48   0.03000  1.0 1.0
   38    43    47    48   0.58800 -1.0 2.0
   38    43    47    48   0.15550  1.0 3.0
   38    43    47    53   0.43900  1.0 1.0
   38    43    47    53  -0.18150 -1.0 2.0
   38    43    47    53  -0.03650  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.92800 -1.0 2.0
   43    47   -53    33   0.65300  1.0 1.0
   43    47   -53    33  -0.03850 -1.0 2.0
   43    47   -53    33   0.33900  1.0 3.0
   43    47    53    54   0.00000  1.0 1.0
   43    47    53    55   0.00000  1.0 1.0
   44    43    47    48   0.06100 -1.0 2.0
   44    43    47    53   0.49600 -1.0 2.0
   48    47    53    33   0.30150 -1.0 2.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   53    33   -37    38   0.09850  1.0 1.0
   53    33   -37    38   0.15250 -1.0 2.0
   53    33   -37    38  -0.50650  1.0 3.0
   53    33    37    40   0.46850  1.0 1.0
   53    33    37    40   0.08550 -1.0 2.0
   53    33    37    40   0.09800  1.0 3.0
   53    33    49    45   0.00000  1.0 1.0
   53    33    49    56   0.25450  1.0 1.0
   53    33    49    56  -0.61700 -1.0 2.0
   53    33    49    56  -0.23550  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    43   7.00000 -1.0 2.0
   40    45   -49    33   0.00000  1.0 1.0
   40    45    49    56   0.25450  1.0 1.0
   40    45    49    56  -0.61700 -1.0 2.0
   40    45    49    56  -0.23550  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    52   0.00000  1.0 1.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    49   0.22950  1.0 3.0
   41    40    45    50  -0.03800  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    49   0.22950  1.0 3.0
   42    40    45    50  -0.03800  1.0 3.0
   45    49    56    57   0.00000  1.0 1.0
   45    49    56    58  -0.54700  1.0 1.0
   45    49    56    58   1.23000 -1.0 2.0
   46    45    49    33   0.00000  1.0 1.0
   46    45    49    56   0.00000  1.0 1.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   49    33    37    38   0.62150  1.0 1.0
   49    33    37    38   0.42850 -1.0 2.0
   49    33    37    38  -0.68200  1.0 3.0
   49    33   -37    40   0.09700  1.0 1.0
   49    33   -37    40   0.15600 -1.0 2.0
   49    33   -37    40  -0.50800  1.0 3.0
   49    33    53    47  -2.10200  1.0 1.0
   49    33    53    47  -0.31600 -1.0 2.0
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   49    33    53    55   0.22950  1.0 3.0
   49    45    50    51   0.00000  1.0 1.0
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   49    56    58    59   7.00000 -1.0 2.0
   49    56    58    60   7.00000 -1.0 2.0
   56    58    60    61   0.28850  1.0 1.0
   56    58    60    61   2.61350 -1.0 2.0
   56    58    60    61   0.78400  1.0 3.0
   56    58    60    71  -0.18600  1.0 3.0
   57    56    58    59   7.00000 -1.0 2.0
   57    56    58    60   7.00000 -1.0 2.0
   58    60    61    62   7.00000 -1.0 2.0
   58    60    61    63   7.00000 -1.0 2.0
   58    60    71    69   0.98200  1.0 1.0
   58    60    71    69  -0.11900 -1.0 2.0
   58    60    71    69   0.24250  1.0 3.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   59    58    60    61  -0.18600  1.0 3.0
   59    58    60    71   0.00000  1.0 1.0
   60    61    63    64  -0.18600  1.0 3.0
   60    61    63    66   0.28850  1.0 1.0
   60    61    63    66   2.61350 -1.0 2.0
   60    61    63    66   0.78400  1.0 3.0
   61    60    71    69   0.09850  1.0 1.0
   61    60    71    69   0.15250 -1.0 2.0
   61    60    71    69  -0.50650  1.0 3.0
   61    60    71    72   0.00000  1.0 1.0
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   61    63    64    65   1.00000 -1.0 2.0
   61    63   -64    69  -0.54700  1.0 1.0
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   61    63    66    67   7.00000 -1.0 2.0
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   62    61    63    64   0.00000  1.0 1.0
   62    61    63    66  -0.18600  1.0 3.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.25450  1.0 1.0
   63    64    69    71  -0.61700 -1.0 2.0
   63    64    69    71  -0.23550  1.0 3.0
   63    64    69    74  -0.12500  1.0 1.0
   63    64    69    74  -0.12500 -1.0 2.0
   63    64    69    74   0.25000  1.0 3.0
   64    63    66    67   7.00000 -1.0 2.0
   64    63    66    68   7.00000 -1.0 2.0
   64    69   -71    60   0.21700  1.0 1.0
   64    69   -71    60   0.68550 -1.0 2.0
   64    69   -71    60  -0.27950  1.0 3.0
   64    69    71    72   0.22950  1.0 3.0
   64    69    71    73   0.22950  1.0 3.0
   64    69    74    75   0.00000  1.0 1.0
   64    69    74    76   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   65    64    69    74   0.00000  1.0 1.0
   70    69    71    60   0.15000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    74    75   0.00000  1.0 1.0
   70    69    74    76   0.00000  1.0 1.0
   71    60    61    62   7.00000 -1.0 2.0
   71    60   -61    63   7.00000 -1.0 2.0
   71    69    74    75   0.00000  1.0 1.0
   71    69    74    76   0.00000  1.0 1.0
   74    69    71    60  -0.98800  1.0 1.0
   74    69    71    60   0.48800 -1.0 2.0
   74    69    71    60   0.76800  1.0 3.0
   74    69    71    72  -0.03800  1.0 3.0
   74    69    71    73  -0.03800  1.0 3.0
   66    63    64    65   1.00000 -1.0 2.0
   66    63    64    69  -0.54700  1.0 1.0
   66    63    64    69   1.23000 -1.0 2.0
   50    45    49    33   0.00000  1.0 1.0
   50    45    49    56  -0.12500  1.0 1.0
   50    45    49    56  -0.12500 -1.0 2.0
   50    45    49    56   0.25000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
   43    53    47    48  10.50000 -1.0 2.0
   45    56    49    33   1.00000 -1.0 2.0
   49    57    56    58  15.00000 -1.0 2.0
   60    59    58    56  15.00000 -1.0 2.0
   58    71    60    61   1.10000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   61    64    63    66   1.10000 -1.0 2.0
   65    63    64    69   1.00000 -1.0 2.0
   75    69    74    76  10.50000 -1.0 2.0
   67    68    66    63   1.10000 -1.0 2.0
   51    45    50    52  10.50000 -1.0 2.0
END
