* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    233     420
    1     0 S   NP   _N1_     1    29.07325    97.14167   -24.63510
    2     1 S   H    _HN1     2     1.02793   117.10260   -98.49047
    3     1 S   H    _H1_     3     1.02947    67.52743     1.38875
    4     1 S   H    _H2_     4     1.02825    39.73684   175.84994
    5     1 S   CT   _CA1     5     1.50140   128.45658   100.20311
    6     5 S   HC   _HA1     6     1.09575   105.14732   100.70436
    7     5 S   CO3  _C1_     7     1.53764   112.44172   -19.45391
    8     7 S   O2Z  _O11     8     1.26377   114.99948   -42.59623
    9     7 S   O2Z  _O12     9     1.26236   114.94292   136.33458
   10     5 S   CT   _CB1    10     1.53053   107.38861  -141.36989
   11    10 S   HC   HB11    11     1.09841   109.28678   -49.51226
   12    10 S   HC   HB12    12     1.09809   110.49354    67.07115
   13    10 S   CT   _CG1    13     1.53018   112.65670  -170.45869
   14    13 S   HC   HG11    14     1.09572   110.71173   -67.83717
   15    13 S   HC   HG12    15     1.09671   109.71055    51.41096
   16    13 S   C    _CD1    16     1.51821   111.99675   171.84394
   17    16 S   O    _OE1    17     1.22760   123.18065    11.77627
   18    16 S   N    _N2_    18     1.38627   111.81688  -168.05084
   19    18 S   H    _HN2    19     1.01571   119.06324     0.58817
   20    18 S   CT1  _CA2    20     1.46270   123.46389   176.96359
   21    20 S   HC   _HA2    21     1.09742   109.19722     9.52105
   22    20 S   C    _C2_    22     1.53753   109.17398  -106.04777
   23    22 S   O    _O2_    23     1.23100   122.21331  -151.00829
   24    20 S   CT   _CB2    32     1.53469   111.48869   131.47131
   25    24 S   HC   HB21    33     1.09487   109.48525    57.23586
   26    24 S   HC   HB22    34     1.09433   109.66925   176.09937
   27    22 S   N    _N3_    24     1.38308   114.02956    36.57668
   28    27 S   H    _HN3    25     1.01521   119.63255    -3.31163
   29    24 S   S    _SG2    35     1.83232   111.00176   -64.70391
   30    27 S   CT   _CA3    26     1.45275   123.26941   177.17375
   31    30 S   HC   HA31    27     1.09548   107.52717   -64.55455
   32    30 S   HC   HA32    28     1.09557   107.97947    51.89657
   33    29 S   CT   _C20    36     1.85988   102.47052   166.29554
   34    33 S   OM   _O39    37     1.31701   111.65220   -60.64517
   35    30 S   CO3  _C3_    29     1.52969   114.06266   173.90757
   36    35 S   O2Z  _O31    30     1.26383   116.10298     0.25256
   37    35 S   O2Z  _O32    31     1.26429   114.41022  -179.70326
   38    33 S   CM   _C21    38     1.52200   108.93198   178.86754
   39    33 S   CO4  _C19    69     1.53150   106.72589    58.67023
   40    39 S   O    _O36    70     1.23636   122.33152   -83.89963
   41    38 S   CMA  _C23    39     1.36324   127.40393  -115.75979
   42    41 S   OM   _O38    40     1.27155   129.02524   173.35400
   43    38 S   C    _C22    73     1.51158   117.35267    63.33642
   44    43 S   O    _O37    74     1.22649   122.98194   -74.25234
   45    41 S   CT   _C16    41     1.58315   119.04346    -3.27596
   46    43 S   N    _N4_    75     1.37636   112.93617   105.53472
   47    46 S   H    _H12    76     1.01458   121.38141     1.34697
   48    46 S   H    _H13    77     1.01203   120.75833   179.84677
   49    45 S   CMA  _C15    42     1.58697   116.75061   -98.44380
   50    49 S   OM   _O35    43     1.26726   112.14690   -36.12907
   51    45 S   OH   _O40    71     1.45576   108.52771   142.54037
   52    51 S   HO   _H14    72     0.97461   104.73633    44.35056
   53    49 S   CM   _C7_    44     1.36474   118.95808   145.87054
   54    53 S   CM   _C6_    45     1.45888   125.39770    -1.02812
   55    54 S   CM   _C5_    46     1.35532   121.59739  -166.16770
   56    54 S   CT   _C18    64     1.51085   115.18157    12.80951
   57    56 S   HC   _H10    65     1.09717   109.20390    80.22125
   58    56 S   HC   _H11    66     1.09595   111.80059  -162.16131
   59    55 S   CA   _C10    47     1.49921   119.82845     8.79862
   60    55 S   CT   _C4_    60     1.50737   120.71336  -168.41243
   61    60 S   HC   _H4_    61     1.09387   111.24400   -92.99824
   62    60 S   HC   _H5_    62     1.09574   111.90407    27.47113
   63    60 S   HC   _H6_    63     1.09511   111.44841   143.66890
   64    45 S   CT   _C17    67     1.54288   109.46366    29.49085
   65    64 S   HC   _H3_    68     1.09960   109.84454    64.20178
   66    59 S   CA   _C9_    48     1.41503   118.02381   -22.77991
   67    53 S   CO4  _C8_    49     1.50384   119.04775   173.43654
   68    67 S   O    _O34    50     1.22537   124.13752   -29.70898
   69    66 S   CA   _C14    51     1.40834   121.35787  -175.08116
   70    69 S   CA   _C13    52     1.38678   120.59201    -1.91489
   71    70 S   HA   _H8_    53     1.08625   120.71092  -179.56524
   72    69 S   OH   _O33    58     1.36969   123.68222   179.24749
   73    72 S   HO   _H9_    59     0.97435   108.86226    -2.76407
   74    70 S   CA   _C12    54     1.38672   119.27925    -1.61083
   75    74 S   HA   _H7_    55     1.08813   118.58474  -177.11636
   76    59 S   CA   _C11    56     1.41681   125.49920   157.11334
   77    76 S   Cl   Cl1_    57     1.73471   124.37065    -9.13919
  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   8   5   4   3
  13   6   2   1   1  13  12   4  13   5   5   3  12   2   1   1
  12   5   5   1  12  15  15   7   3   2  14   5   2   1   1   1
   1  10   5   1   7   7   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    64    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    56    64    65    39    40    43    44    46  
   38    41    64    39    40    43  
   36    37  
   37  
    0  
   41    42    45    49    64    39    40    51    43    44    46    47    48  
   40    51    43    41    45    49    54    56    57    58    64    65  
   45    56    64    65  
   42    45    49    50    53    56    64    65    51    52    43    44    46  
   45    49    64    51    43  
   44    46    47    48    45  
   46    47    48  
   49    50    53    54    67    56    57    58    64    65    51    52  
   47    48  
   48  
    0  
   50    53    54    55    66    67    68    56    64    65    51    52  
   53    54    67    64    51  
   52    53    56    64    65  
   64  
   54    55    59    66    67    68    69    60    56    57    58    64  
   55    59    66    67    68    76    60    61    62    63    56    57    58    64    65  
   59    66    67    69    74    76    77    60    61    62    63    56    57    58    64  
   57    58    64    65    59    60    67  
   58    64    65  
   64    65  
   66    67    68    69    70    74    75    76    77    72    60    61    62    63  
   61    62    63    66    76  
   62    63  
   63  
    0  
   65  
    0  
   67    68    69    70    71    74    76    77    72    73  
   68    69    70    76    72  
   69  
   70    71    74    75    76    72    73  
   71    74    75    76    77    72    73  
   74    75    76    72  
   73    74  
    0  
   75    76    77  
   76    77  
   77  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    49   270.000  1.512
   45    64   268.000  1.529
   45    51   320.000  1.410
   49    50   745.000  1.250
   49    53   465.000  1.376
   53    54   380.000  1.444
   53    67   320.000  1.462
   54    55   549.000  1.340
   54    56   317.000  1.510
   55    59   320.000  1.460
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    76   469.000  1.400
   66    67   310.000  1.470
   66    69   469.000  1.400
   67    68   570.000  1.229
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   72    73   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    39   317.000  1.522
   39    40   570.000  1.229
   51    52   553.000  0.945
   43    44   570.000  1.229
   43    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    64    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    46    80.00000  111.56200
   41    45    49    70.00000  110.12100
   41    45    64    70.00000  112.02700
   41    45    51    90.00000  110.39200
   45    41    42    85.00000  112.85300
   45    49    50    85.00000  112.85300
   45    49    53    65.00000  122.18000
   45    64    56    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    64    39    63.00000  111.10000
   45    51    52    55.00000  108.50000
   49    53    54    70.00000  117.34000
   49    53    67    60.00000  125.92000
   53    49    50    65.00000  137.10300
   53    54    55    70.00000  123.01800
   53    54    56    70.00000  124.00000
   53    67    66    65.00000  117.02400
   53    67    68    80.00000  123.72100
   54    55    59    60.00000  123.20500
   54    55    60    70.00000  124.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.02700
   55    59    66    60.00000  120.93500
   55    59    76    60.00000  120.93500
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    67    60.00000  119.52600
   59    66    69    63.00000  120.00000
   59    76    74    63.00000  120.00000
   59    76    77    75.00000  120.00000
   66    67    68    75.00000  123.78400
   66    69    70    63.00000  120.00000
   66    69    72    70.00000  120.00000
   67    53    54    65.00000  118.96000
   69    66    67    60.00000  119.52600
   69    70    71    35.00000  120.00000
   69    70    74    63.00000  120.00000
   69    72    73    35.00000  113.00000
   70    74    75    35.00000  120.00000
   70    74    76    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    76    77    75.00000  120.00000
   76    59    66    63.00000  120.00000
   76    74    75    35.00000  120.00000
   72    69    70    70.00000  120.00000
   60    55    59    65.00000  118.87000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  124.00000
   56    64    65    37.50000  110.70000
   56    64    39    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    45    49    70.00000  112.02700
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    64    65    35.00000  109.50000
   51    45    49    90.00000  110.39200
   51    45    64    50.00000  109.50000
   43    38    41    60.00000  120.04000
   43    46    47    35.00000  119.80000
   43    46    48    35.00000  119.80000
   46    43    44    80.00000  122.90000
   48    46    47    35.00000  120.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    64   0.65300  1.0 1.0
   29    33    39    64  -0.03850 -1.0 2.0
   29    33    39    64   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    46   1.59650  1.0 1.0
   33    38    43    46   0.42750 -1.0 2.0
   33    38    43    46  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    64   0.55300  1.0 1.0
   34    33    39    64   1.25850 -1.0 2.0
   34    33    39    64  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    64   0.65300  1.0 1.0
   38    33    39    64  -0.03850 -1.0 2.0
   38    33    39    64   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    49  -0.28300  1.0 1.0
   38    41    45    49   0.26700 -1.0 2.0
   38    41    45    49  -0.63300  1.0 3.0
   38    41   -45    64   0.09850  1.0 1.0
   38    41   -45    64   0.15250 -1.0 2.0
   38    41   -45    64  -0.50650  1.0 3.0
   38    41    45    51   0.67800  1.0 1.0
   38    41    45    51   0.47050 -1.0 2.0
   38    41    45    51  -0.62500  1.0 3.0
   38    43    46    47   2.56700 -1.0 2.0
   38    43    46    48   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    46   0.49500  1.0 1.0
   41    38    43    46   1.31600 -1.0 2.0
   41    38    43    46  -0.02300  1.0 3.0
   41    45    49    50   0.09700  1.0 1.0
   41    45    49    50   0.15600 -1.0 2.0
   41    45    49    50  -0.50800  1.0 3.0
   41    45    49    53  -0.28300  1.0 1.0
   41    45    49    53   0.26700 -1.0 2.0
   41    45    49    53  -0.63300  1.0 3.0
   41    45    64    56   0.34400  1.0 1.0
   41    45    64    56   0.09450 -1.0 2.0
   41    45    64    56   0.11100  1.0 3.0
   41    45    64    65   0.15000  1.0 3.0
   41    45    64    39  -0.98800  1.0 1.0
   41    45    64    39   0.48800 -1.0 2.0
   41    45    64    39   0.76800  1.0 3.0
   41    45    51    52  -0.07800  1.0 1.0
   41    45    51    52  -0.21500 -1.0 2.0
   41    45    51    52  -0.03150  1.0 3.0
   42    41    45    49   0.09700  1.0 1.0
   42    41    45    49   0.15600 -1.0 2.0
   42    41    45    49  -0.50800  1.0 3.0
   42    41    45    64   0.09700  1.0 1.0
   42    41    45    64   0.15600 -1.0 2.0
   42    41    45    64  -0.50800  1.0 3.0
   42    41    45    51   0.09700  1.0 1.0
   42    41    45    51   0.15600 -1.0 2.0
   42    41    45    51  -0.50800  1.0 3.0
   45    49    53    54   7.00000 -1.0 2.0
   45    49    53    67   7.00000 -1.0 2.0
   45    64   -39    33   0.60050  1.0 1.0
   45    64   -39    33   0.05600 -1.0 2.0
   45    64   -39    33   0.26150  1.0 3.0
   45    64    39    40   0.30150 -1.0 2.0
   49    45    64    56   0.34400  1.0 1.0
   49    45    64    56   0.09450 -1.0 2.0
   49    45    64    56   0.11100  1.0 3.0
   49    45    64    65   0.15000  1.0 3.0
   49    45    64    39  -0.98800  1.0 1.0
   49    45    64    39   0.48800 -1.0 2.0
   49    45    64    39   0.76800  1.0 3.0
   49    45    51    52  -0.07800  1.0 1.0
   49    45    51    52  -0.21500 -1.0 2.0
   49    45    51    52  -0.03150  1.0 3.0
   49    53    54    55   0.28850  1.0 1.0
   49    53    54    55   2.61350 -1.0 2.0
   49    53    54    55   0.78400  1.0 3.0
   49    53   -54    56  -0.18600  1.0 3.0
   49    53    67    66  -1.65800  1.0 1.0
   49    53    67    66   0.77650 -1.0 2.0
   49    53    67    68   1.00000 -1.0 2.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    67   7.00000 -1.0 2.0
   53    54    55    59   7.00000 -1.0 2.0
   53    54    55    60   7.00000 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.98200  1.0 1.0
   53    54    56    64  -0.11900 -1.0 2.0
   53    54    56    64   0.24250  1.0 3.0
   54    53    67    66  -1.65800  1.0 1.0
   54    53    67    66   0.77650 -1.0 2.0
   54    53    67    68   1.00000 -1.0 2.0
   54    55   -59    66   0.15800  1.0 1.0
   54    55   -59    66   1.85350 -1.0 2.0
   54    55   -59    66  -0.48700  1.0 3.0
   54    55    59    76   0.15800  1.0 1.0
   54    55    59    76   1.85350 -1.0 2.0
   54    55    59    76  -0.48700  1.0 3.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    45   0.34400  1.0 1.0
   54    56   -64    45   0.09450 -1.0 2.0
   54    56   -64    45   0.11100  1.0 3.0
   54    56    64    65   0.15000  1.0 3.0
   54    56    64    39  -0.98800  1.0 1.0
   54    56    64    39   0.48800 -1.0 2.0
   54    56    64    39   0.76800  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.09850  1.0 1.0
   55    54    56    64   0.15250 -1.0 2.0
   55    54    56    64  -0.50650  1.0 3.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    66    69   3.62500 -1.0 2.0
   55    59    76    74   3.62500 -1.0 2.0
   55    59    76    77   3.62500 -1.0 2.0
   59    55    60    61   0.77000  1.0 3.0
   59    55    60    62   0.77000  1.0 3.0
   59    55    60    63   0.77000  1.0 3.0
   59    66   -67    53  -0.11500  1.0 1.0
   59    66   -67    53   1.10450 -1.0 2.0
   59    66   -67    53  -0.48050  1.0 3.0
   59    66    67    68   1.05000 -1.0 2.0
   59    66    69    70   3.62500 -1.0 2.0
   59    66    69    72   3.62500 -1.0 2.0
   66    59    76    74   3.62500 -1.0 2.0
   66    59    76    77   3.62500 -1.0 2.0
   66    69    70    71   3.62500 -1.0 2.0
   66    69   -70    74   3.62500 -1.0 2.0
   66    69    72    73   0.84100 -1.0 2.0
   67    53   -54    55  -0.18600  1.0 3.0
   67    53    54    56   1.08500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    72   3.62500 -1.0 2.0
   69    66    67    53  -0.11500  1.0 1.0
   69    66    67    53   1.10450 -1.0 2.0
   69    66    67    53  -0.48050  1.0 3.0
   69    66    67    68   1.05000 -1.0 2.0
   69    70    74    75   3.62500 -1.0 2.0
   69    70    74    76   3.62500 -1.0 2.0
   70    69    72    73   0.84100 -1.0 2.0
   70    74   -76    59   3.62500 -1.0 2.0
   70    74    76    77   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   71    70    74    76   3.62500 -1.0 2.0
   75    74    76    59   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    59    66    67   3.62500 -1.0 2.0
   76    59   -66    69   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    74   3.62500 -1.0 2.0
   60    55    59    66  -0.02500  1.0 1.0
   60    55    59    66  -0.32150 -1.0 2.0
   60    55    59    66  -0.01500  1.0 3.0
   60    55    59    76  -0.02500  1.0 1.0
   60    55    59    76  -0.32150 -1.0 2.0
   60    55    59    76  -0.01500  1.0 3.0
   56    54    55    59   7.00000 -1.0 2.0
   56    54    55    60   7.00000 -1.0 2.0
   56    64    39    33   0.60050  1.0 1.0
   56    64    39    33   0.05600 -1.0 2.0
   56    64    39    33   0.26150  1.0 3.0
   56    64    39    40   0.30150 -1.0 2.0
   57    56    64    45   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    39  -0.11250  1.0 3.0
   58    56    64    45   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    39  -0.11250  1.0 3.0
   64    45    49    50   0.09700  1.0 1.0
   64    45    49    50   0.15600 -1.0 2.0
   64    45    49    50  -0.50800  1.0 3.0
   64    45   -49    53   0.09850  1.0 1.0
   64    45   -49    53   0.15250 -1.0 2.0
   64    45   -49    53  -0.50650  1.0 3.0
   64    45    51    52  -0.11600  1.0 1.0
   64    45    51    52  -0.09450 -1.0 2.0
   64    45    51    52   0.21250  1.0 3.0
   65    64    39    33   0.00000  1.0 1.0
   65    64    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   51    45    49    50   0.09700  1.0 1.0
   51    45    49    50   0.15600 -1.0 2.0
   51    45    49    50  -0.50800  1.0 3.0
   51    45    49    53   0.67800  1.0 1.0
   51    45    49    53   0.47050 -1.0 2.0
   51    45    49    53  -0.62500  1.0 3.0
   51    45    64    56   0.86500  1.0 1.0
   51    45    64    56  -0.17500 -1.0 2.0
   51    45    64    56   0.20800  1.0 3.0
   51    45    64    65   0.23400  1.0 3.0
   51    45    64    39  -0.09450  1.0 1.0
   51    45    64    39  -1.12950 -1.0 2.0
   51    45    64    39   0.54000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    46    47   2.45000 -1.0 2.0
   44    43    46    48   2.45000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    50    49    53   1.10000 -1.0 2.0
   54    67    53    49   1.10000 -1.0 2.0
   53    56    54    55   1.10000 -1.0 2.0
   59    60    55    54   1.10000 -1.0 2.0
   66    76    59    55   4.00000 -1.0 2.0
   67    69    66    59   4.00000 -1.0 2.0
   53    66    67    68  10.50000 -1.0 2.0
   70    72    69    66   4.00000 -1.0 2.0
   74    71    70    69   1.10000 -1.0 2.0
   76    75    74    70   1.10000 -1.0 2.0
   74    77    76    59   4.00000 -1.0 2.0
   33    64    39    40  10.50000 -1.0 2.0
   38    46    43    44  10.50000 -1.0 2.0
   48    43    46    47   1.00000 -1.0 2.0
END
