* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    145    226     433
    1     0 S   NP   _N1_     1    28.73137    97.35601   -23.65313
    2     1 S   H    _HN1     2     1.02786   105.67897   -88.88105
    3     1 S   H    _H1_     3     1.02950    65.78987    14.56552
    4     1 S   H    _H2_     4     1.02828    44.40989   171.36760
    5     1 S   CT   _CA1     5     1.50107   140.54572   107.73508
    6     5 S   HC   _HA1     6     1.09573   105.20378   101.34696
    7     5 S   CO3  _C1_     7     1.53792   112.46524   -18.90768
    8     7 S   O2Z  _O11     8     1.26372   115.00976   -42.68084
    9     7 S   O2Z  _O12     9     1.26241   114.94721   136.48450
   10     5 S   CT   _CB1    10     1.53081   107.42407  -140.65950
   11    10 S   HC   HB11    11     1.09832   109.38934   -49.72602
   12    10 S   HC   HB12    12     1.09814   110.44035    66.88653
   13    10 S   CT   _CG1    13     1.52987   112.59566  -170.70411
   14    13 S   HC   HG11    14     1.09582   110.62534   -65.29464
   15    13 S   HC   HG12    15     1.09670   109.79453    53.93576
   16    13 S   C    _CD1    16     1.51796   112.24049   174.40220
   17    16 S   O    _OE1    17     1.22728   123.29157     6.45115
   18    16 S   N    _N2_    18     1.38651   111.65859  -173.65121
   19    18 S   H    _HN2    19     1.01578   118.93230     1.83334
   20    18 S   CT1  _CA2    20     1.46200   123.40144   177.65573
   21    20 S   HC   _HA2    21     1.09734   109.38177     2.67166
   22    20 S   C    _C2_    22     1.53549   108.55027  -112.83604
   23    22 S   O    _O2_    23     1.23056   122.31240  -147.36431
   24    20 S   CT   _CB2    32     1.53319   111.58846   124.71129
   25    24 S   HC   HB21    33     1.09588   110.06901    56.30244
   26    24 S   HC   HB22    34     1.09459   109.92816   175.39185
   27    22 S   N    _N3_    24     1.38335   113.68148    40.03521
   28    27 S   H    _HN3    25     1.01584   119.59367    -3.25083
   29    24 S   S    _SG2    35     1.82828   111.53043   -64.67193
   30    27 S   CT   _CA3    26     1.45287   123.21204   177.16586
   31    30 S   HC   HA31    27     1.09549   107.50510   -64.70353
   32    30 S   HC   HA32    28     1.09557   107.99226    51.73679
   33    29 S   CT   _C11    36     1.84018    99.74229   172.27305
   34    33 S   HC   _H3_    37     1.09734   106.64700   -50.62379
   35    30 S   CO3  _C3_    29     1.52961   114.07658   173.73384
   36    35 S   O2Z  _O31    30     1.26376   116.06641    -0.79623
   37    35 S   O2Z  _O32    31     1.26427   114.41504   179.26778
   38    33 S   CA   _C7_    38     1.51822   111.61780    68.74622
   39    33 S   CT   _C12    54     1.53605   108.21578  -165.91902
   40    39 S   HC   _H13    55     1.09783   111.28717    55.10853
   41    39 S   HC   _H14    56     1.09713   112.37747   -63.70901
   42    38 S   CA   _C8_    39     1.40572   119.52628  -111.48758
   43    42 S   HA   _H10    40     1.08773   120.29400     0.12511
   44    39 S   CO4  _C13    57     1.51085   110.99348   173.42989
   45    44 S   O    _O35    58     1.22395   123.78954   -68.57487
   46    42 S   CA   _C9_    41     1.39726   120.99539   179.81548
   47    46 S   HA   _H11    42     1.08610   119.34491  -179.48074
   48    44 S   OS   _O36    59     1.36129   109.91839   110.34444
   49    46 S   CA   _C10    43     1.39211   119.70350     0.58484
   50    48 S   CT   _C14    60     1.44652   117.58177  -178.38142
   51    50 S   HC   _H15    61     1.09849   108.63435   -41.73475
   52    49 S   CA   _C5_    44     1.39310   120.03717     0.54572
   53    49 S   OH   _O34    52     1.36668   120.57860  -179.77186
   54    53 S   HO   _H12    53     0.97204   108.71348    -1.00949
   55    50 S   CT   _C15    62     1.53507   107.60333  -159.27941
   56    55 S   HC   _H4_    63     1.09622   110.38493   -51.72985
   57    38 S   CA   _C6_    45     1.40400   121.94622    68.61124
   58    57 S   HA   _H9_    46     1.08703   120.50852    -0.75563
   59    52 S   OS   _O33    47     1.37071   120.48668  -179.23690
   60    55 S   CT   _C16    64     1.52942   111.13653  -175.57650
   61    60 S   HC   _H16    65     1.09785   109.82458  -179.69610
   62    60 S   HC   _H17    66     1.09998   109.23879   -66.93845
   63    55 S   OH   _O41    80     1.42947   108.57440    65.11624
   64    63 S   HO   _H22    81     0.97263   107.24167  -177.82786
   65    59 S   CT   _C4_    48     1.42904   109.83856   -94.26098
   66    65 S   HC   _H6_    49     1.09405   107.78992  -179.89532
   67    65 S   HC   _H7_    50     1.09558   111.20490    61.90783
   68    65 S   HC   _H8_    51     1.09573   111.31511   -61.63018
   69    60 S   CT   _C17    67     1.53443   112.99918    55.18561
   70    69 S   CT   _C18    68     1.53846   109.74730   -53.84312
   71    70 S   HC   _H18    69     1.09865   109.23583   -67.54196
   72    70 S   HC   _H19    70     1.09720   110.14240   177.24963
   73    69 S   CO3  _C20    75     1.55983   113.48973    74.74444
   74    73 S   O2Z  _O39    76     1.26457   115.78946  -155.32694
   75    73 S   O2Z  _O38    77     1.26440   115.45699    26.30964
   76    69 S   OH   _O40    78     1.43822   107.21441  -169.38368
   77    76 S   HO   _H21    79     0.97350   107.38755   -64.37099
   78    50 S   CT   _C19    71     1.53590   110.10092    79.42924
   79    78 S   HC   _H5_    72     1.09491   110.29598   -63.96231
   80    78 S   OH   _O37    73     1.42605   108.89568    52.58062
   81    80 S   HO   _H20    74     0.97363   108.20773   164.69702
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  16   8   9   3   1  13   7   3   1   4  14   6   5   3   1
   3   2   1   1  11  11   6   5   5   2   1   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    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    57    58    59    39    40    41    44  
   40    41    44    45    48    50    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    53  
   46    47    49    57  
   45    48    50    51    55    78  
   48    50  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    60    70    78    79    80    63  
   52    57    58    59    65    53    54  
   51    55    56    60    61    62    69    70    71    72    78    79    80    81    63    64  
   55    56    60    70    78    79    80    63  
   57    58    59    65    66    67    68    53    54  
   54    57    59  
    0  
   56    60    61    62    69    70    78    79    80    73    76    63    64  
   60    61    62    69    78    63    64  
   58    59    65  
   59  
   65    66    67    68  
   61    62    69    70    71    72    78    73    74    75    76    77    63    64  
   62    69    70    73    76    63  
   69    70    73    76    63  
   64    69    78  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    78    79    80    73    74    75    76    77  
   71    72    78    79    80    81    73    74    75    76    77  
   72    78    79    80    73    76  
   78    79    80    73    76  
   74    75    76    77    78  
   75    76  
   76  
   77    78  
    0  
   79    80    81  
   80    81  
   81  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    78   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   268.000  1.529
   69    70   268.000  1.529
   69    73   317.000  1.522
   69    76   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   320.000  1.410
   80    81   553.000  0.945
   73    74   656.000  1.250
   73    75   656.000  1.250
   76    77   553.000  0.945
   63    64   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    65    75.00000  111.00000
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    78    50.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   50    55    63    50.00000  109.50000
   50    78    70    58.35000  112.70000
   50    78    79    37.50000  110.70000
   50    78    80    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    69    58.35000  112.70000
   55    63    64    55.00000  108.50000
   60    55    56    37.50000  110.70000
   60    69    70    58.35000  112.70000
   60    69    73    70.00000  109.69300
   60    69    76    50.00000  109.50000
   62    60    61    33.00000  107.80000
   69    60    61    37.50000  110.70000
   69    60    62    37.50000  110.70000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    78    58.35000  112.70000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   69    76    77    55.00000  108.50000
   70    78    79    37.50000  110.70000
   70    78    80    50.00000  109.50000
   72    70    71    33.00000  107.80000
   78    50    51    37.50000  110.70000
   78    50    55    58.35000  112.70000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    80    81    55.00000  108.50000
   80    78    79    35.00000  109.50000
   73    69    70    70.00000  109.69300
   75    73    74    80.00000  126.00000
   76    69    70    50.00000  109.50000
   76    69    73    95.00000  109.52300
   63    55    56    35.00000  109.50000
   63    55    60    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    65   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    59    65    66   0.08050  1.0 3.0
   52    59    65    67   0.08050  1.0 3.0
   52    59    65    68   0.08050  1.0 3.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   57    52    59    65   1.63200 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    78  -0.25900  1.0 1.0
   44    48    50    78  -0.47000 -1.0 2.0
   44    48    50    78   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    60   0.62750  1.0 1.0
   48    50    55    60  -0.30950 -1.0 2.0
   48    50    55    60   0.27300  1.0 3.0
   48    50    55    63   3.69350  1.0 1.0
   48    50    55    63  -1.82950 -1.0 2.0
   48    50    78    70   0.62750  1.0 1.0
   48    50    78    70  -0.30950 -1.0 2.0
   48    50    78    70   0.27300  1.0 3.0
   48    50    78    79   0.23400  1.0 3.0
   48    50    78    80   3.69350  1.0 1.0
   48    50    78    80  -1.82950 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    69   0.56750  1.0 1.0
   50    55    60    69  -0.07550 -1.0 2.0
   50    55    60    69   0.20000  1.0 3.0
   50    55    63    64  -0.11600  1.0 1.0
   50    55    63    64  -0.09450 -1.0 2.0
   50    55    63    64   0.21250  1.0 3.0
   50    78    80    81  -0.11600  1.0 1.0
   50    78    80    81  -0.09450 -1.0 2.0
   50    78    80    81   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   51    50    55    63   0.23400  1.0 3.0
   51    50    78    70   0.15000  1.0 3.0
   51    50    78    79   0.15000  1.0 3.0
   51    50    78    80   0.23400  1.0 3.0
   55    50    78    70   0.56750  1.0 1.0
   55    50    78    70  -0.07550 -1.0 2.0
   55    50    78    70   0.20000  1.0 3.0
   55    50    78    79   0.15000  1.0 3.0
   55    50    78    80   0.86500  1.0 1.0
   55    50    78    80  -0.17500 -1.0 2.0
   55    50    78    80   0.20800  1.0 3.0
   55    60   -69    70   0.56750  1.0 1.0
   55    60   -69    70  -0.07550 -1.0 2.0
   55    60   -69    70   0.20000  1.0 3.0
   55    60    69    73  -1.63150  1.0 1.0
   55    60    69    73  -0.43550 -1.0 2.0
   55    60    69    73   0.24500  1.0 3.0
   55    60    69    76   0.86500  1.0 1.0
   55    60    69    76  -0.17500 -1.0 2.0
   55    60    69    76   0.20800  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    69   0.15000  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   60    55    63    64  -0.11600  1.0 1.0
   60    55    63    64  -0.09450 -1.0 2.0
   60    55    63    64   0.21250  1.0 3.0
   60    69    70    71   0.15000  1.0 3.0
   60    69    70    72   0.15000  1.0 3.0
   60    69    70    78   0.56750  1.0 1.0
   60    69    70    78  -0.07550 -1.0 2.0
   60    69    70    78   0.20000  1.0 3.0
   60    69    73    74   0.41150 -1.0 2.0
   60    69    73    75   0.41150 -1.0 2.0
   60    69    76    77  -0.11600  1.0 1.0
   60    69    76    77  -0.09450 -1.0 2.0
   60    69    76    77   0.21250  1.0 3.0
   61    60    69    70   0.15000  1.0 3.0
   61    60    69    73  -0.11250  1.0 3.0
   61    60    69    76   0.23400  1.0 3.0
   62    60    69    70   0.15000  1.0 3.0
   62    60    69    73  -0.11250  1.0 3.0
   62    60    69    76   0.23400  1.0 3.0
   69    70   -78    50   0.56750  1.0 1.0
   69    70   -78    50  -0.07550 -1.0 2.0
   69    70   -78    50   0.20000  1.0 3.0
   69    70    78    79   0.15000  1.0 3.0
   69    70    78    80   0.86500  1.0 1.0
   69    70    78    80  -0.17500 -1.0 2.0
   69    70    78    80   0.20800  1.0 3.0
   70    69    73    74   0.41150 -1.0 2.0
   70    69    73    75   0.41150 -1.0 2.0
   70    69    76    77  -0.11600  1.0 1.0
   70    69    76    77  -0.09450 -1.0 2.0
   70    69    76    77   0.21250  1.0 3.0
   70    78    80    81  -0.11600  1.0 1.0
   70    78    80    81  -0.09450 -1.0 2.0
   70    78    80    81   0.21250  1.0 3.0
   71    70    78    50   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.23400  1.0 3.0
   72    70    78    50   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    80   0.23400  1.0 3.0
   78    50    55    56   0.15000  1.0 3.0
   78    50   -55    60   0.56750  1.0 1.0
   78    50   -55    60  -0.07550 -1.0 2.0
   78    50   -55    60   0.20000  1.0 3.0
   78    50    55    63   0.86500  1.0 1.0
   78    50    55    63  -0.17500 -1.0 2.0
   78    50    55    63   0.20800  1.0 3.0
   79    78    80    81   0.19450  1.0 3.0
   73    69    70    71  -0.11250  1.0 3.0
   73    69    70    72  -0.11250  1.0 3.0
   73    69    70    78  -1.63150  1.0 1.0
   73    69    70    78  -0.43550 -1.0 2.0
   73    69    70    78   0.24500  1.0 3.0
   73    69    76    77   0.91850  1.0 1.0
   73    69    76    77   0.57950  1.0 3.0
   76    69    70    71   0.23400  1.0 3.0
   76    69    70    72   0.23400  1.0 3.0
   76    69    70    78   0.86500  1.0 1.0
   76    69    70    78  -0.17500 -1.0 2.0
   76    69    70    78   0.20800  1.0 3.0
   76    69    73    74   0.30150 -1.0 2.0
   76    69    73    75   0.30150 -1.0 2.0
   63    55    60    61   0.23400  1.0 3.0
   63    55    60    62   0.23400  1.0 3.0
   63    55    60    69   0.86500  1.0 1.0
   63    55    60    69  -0.17500 -1.0 2.0
   63    55    60    69   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
END
