* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    148    218     433
    1     0 S   NP   _N1_     1    28.99167    91.22231   -21.14636
    2     1 S   H    _HN1     2     1.02793    84.50128  -105.11072
    3     1 S   H    _H1_     3     1.02952   108.85430     2.37825
    4     1 S   H    _H2_     4     1.02838    24.47338    92.41112
    5     1 S   CT   _CA1     5     1.50115   128.72491   140.74512
    6     5 S   HC   _HA1     6     1.09560   105.27768    40.07619
    7     5 S   CO3  _C1_     7     1.53898   112.21241   -80.36719
    8     7 S   O2Z  _O11     8     1.26390   115.05936   -45.89063
    9     7 S   O2Z  _O12     9     1.26214   115.01047   133.08324
   10     5 S   CT   _CB1    10     1.53082   107.42963   158.22100
   11    10 S   HC   HB11    11     1.09822   109.81331   -47.44859
   12    10 S   HC   HB12    12     1.09820   110.22125    69.22794
   13    10 S   CT   _CG1    13     1.52991   112.50444  -168.36297
   14    13 S   HC   HG11    14     1.09591   110.45331   -57.15697
   15    13 S   HC   HG12    15     1.09628   110.05561    62.05521
   16    13 S   C    _CD1    16     1.51786   112.17797  -177.22999
   17    16 S   O    _OE1    17     1.22729   123.27183    -3.08978
   18    16 S   N    _N2_    18     1.38595   111.59389   176.27690
   19    18 S   H    _HN2    19     1.01565   119.10090     4.51440
   20    18 S   CT1  _CA2    20     1.46362   123.38241  -173.95957
   21    20 S   HC   _HA2    21     1.09727   109.35199    -5.02711
   22    20 S   C    _C2_    22     1.53318   109.00872  -121.00228
   23    22 S   O    _O2_    23     1.23045   122.31473  -150.11721
   24    20 S   CT   _CB2    32     1.53635   110.83385   116.53126
   25    24 S   HC   HB21    33     1.09181   108.75222    60.11916
   26    24 S   HC   HB22    34     1.09502   110.57860   178.41082
   27    22 S   N    _N3_    24     1.38350   113.59779    37.44031
   28    27 S   H    _HN3    25     1.01632   119.44149    -3.70063
   29    24 S   S    _SG2    35     1.83130   110.40657   -62.04875
   30    27 S   CT   _CA3    26     1.45280   123.11709   176.90579
   31    30 S   HC   HA31    27     1.09553   107.50839   -64.15496
   32    30 S   HC   HA32    28     1.09560   107.95969    52.24189
   33    29 S   CT   _C13    36     1.87354   103.11345   155.03707
   34    33 S   OM   _O34    37     1.31919   110.52312    59.41999
   35    30 S   CO3  _C3_    29     1.52926   114.17099   174.23602
   36    35 S   O2Z  _O31    30     1.26362   116.07360    -0.98616
   37    35 S   O2Z  _O32    31     1.26432   114.40542   179.08893
   38    33 S   CM   _C8_    38     1.58444   105.95750  -178.70351
   39    38 S   CT   _C9_    39     1.59126   112.68619   100.80860
   40    38 S   CMA  _C7_    72     1.38237   125.44568   -78.32903
   41    40 S   OM   _O40    73     1.26642   130.55749  -179.04100
   42    39 S   CT   _C10    40     1.55623   110.35066   -34.56264
   43    42 S   HC   _H9_    41     1.09771   108.55472   -62.92027
   44    42 S   HC   _H10    42     1.09520   111.03523  -179.48566
   45    39 S   CT   _C14    50     1.55629   116.34980  -157.79173
   46    45 S   HC   _H14    51     1.09641   110.20051    51.35444
   47    45 S   HC   _H15    52     1.09580   111.46477   -69.72074
   48    39 S   OH   _O39    70     1.43776   106.50613    83.41338
   49    48 S   HO   _H23    71     0.97274   107.86497  -174.15450
   50    40 S   CT   _C6_    74     1.53781   122.34035     3.20131
   51    50 S   HC   _H7_    75     1.10172   111.38791   144.66837
   52    50 S   HC   _H8_    76     1.09238   112.03692    29.05723
   53    42 S   CT   _C11    43     1.52573   114.19715    59.60535
   54    53 S   HC   _H3_    44     1.09552   108.91423  -145.91453
   55    45 S   CO4  _C15    53     1.52400   114.54405   173.18946
   56    55 S   O    _O36    54     1.23126   121.22596    57.09195
   57    50 S   CO4  _C5_    77     1.53347   114.19290   -94.44102
   58    57 S   O    _O33    78     1.23072   124.05864   -15.00375
   59    33 S   CT   _C12    45     1.54965   112.18864   -57.43137
   60    59 S   HC   _H11    46     1.10279   110.16606   179.71264
   61    59 S   HC   _H12    47     1.09929   113.03059    66.00064
   62    53 S   OH   _O35    48     1.42946   109.15797    98.56920
   63    62 S   HO   _H13    49     0.97226   107.37557  -177.77217
   64    55 S   CT   _C16    55     1.51216   116.58472  -123.53506
   65    64 S   HC   _H16    56     1.09530   108.10648   -64.97907
   66    64 S   HC   _H17    57     1.09468   109.37246    52.60776
   67    57 S   CT   _C4_    79     1.50864   115.53998   167.40383
   68    67 S   HC   _H4_    80     1.09270   109.50615    61.80188
   69    67 S   HC   _H5_    81     1.09357   109.73111  -178.62058
   70    67 S   HC   _H6_    82     1.09271   109.72889   -59.28012
   71    64 S   CO4  _C17    58     1.51112   114.46209   174.01706
   72    71 S   O    _O37    59     1.23186   120.99718   111.14793
   73    71 S   CT   _C18    60     1.51366   117.47877   -70.09650
   74    73 S   HC   _H18    61     1.09493   109.13242     6.67770
   75    73 S   HC   _H19    62     1.09550   106.81537  -110.30308
   76    73 S   CO4  _C19    63     1.50868   114.38988   127.97597
   77    76 S   O    _O38    64     1.22429   124.36458    -8.26807
   78    76 S   S    _S1_    65     1.76732   113.22735   172.75308
   79    78 S   CT   _C20    66     1.80570   100.30300   177.97822
   80    79 S   HC   _H20    67     1.09323   109.27744  -179.83449
   81    79 S   HC   _H21    68     1.09338   110.53509    60.83146
   82    79 S   HC   _H22    69     1.09339   110.52521   -60.50182
  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
  15   7   2   1   1  20  18  11   4  15   7   6  11   5   4   3
   1   8   4   3   6   5   7   4   5   4   4   2   1   1   1   8
   4   3   3   2   1   1   7   4   6   4   3   6   2   4   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    53    59    60    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    54    59    60    61    62    45    48    40    41    50  
   38    39    53    59    60    61    40  
   36    37  
   37  
    0  
   39    42    43    44    53    59    60    61    45    46    47    55    48    49    40    41    50    51    52    57  
   42    43    44    53    54    59    62    45    46    47    55    56    64    48    49    40    41    50  
   41    50    51    52    57    58    67    42    45    48    59  
   50    51    52    57  
   43    44    53    54    59    60    61    62    63    45    46    47    55    48    49  
   44    53    54    59    62    45    48  
   53    54    59    62    45    48  
   46    47    55    56    64    65    66    71    48    49    53  
   47    55    56    64    48  
   55    56    64    48  
   49    53    55  
    0  
   51    52    57    58    67    68    69    70  
   52    57    58    67  
   57    58    67  
   54    59    60    61    62    63  
   59    60    61    62    63  
   56    64    65    66    71    72    73  
   64    65    66    71  
   58    67    68    69    70  
   67    68    69    70  
   60    61    62    63  
   61    62  
   62  
   63  
    0  
   65    66    71    72    73    74    75    76  
   66    71    72    73  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76    77    78    79  
   75    76    77    78  
   76    77    78  
   77    78    79    80    81    82  
   78    79  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   79   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    59   268.000  1.529
   38    39   317.000  1.510
   38    40   465.000  1.376
   39    42   268.000  1.529
   39    45   268.000  1.529
   39    48   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   317.000  1.522
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   317.000  1.522
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.522
   76    77   570.000  1.229
   76    78   210.000  1.799
   78    79   222.000  1.810
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   48    49   553.000  0.945
   40    41   745.000  1.250
   40    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.522
   57    58   570.000  1.229
   57    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    59    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    40    70.00000  124.00000
   33    59    53    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    39    42    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    39    48    90.00000  110.39200
   38    40    41    65.00000  137.10300
   38    40    50    65.00000  122.18000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    53    58.35000  112.70000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    63.00000  111.10000
   39    48    49    55.00000  108.50000
   42    53    54    37.50000  110.70000
   42    53    59    58.35000  112.70000
   42    53    62    50.00000  109.50000
   44    42    43    33.00000  107.80000
   53    42    43    37.50000  110.70000
   53    42    44    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    62    63    55.00000  108.50000
   59    33    34    50.00000  109.50000
   59    33    38    70.00000  112.02700
   59    53    54    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    59    50.00000  109.50000
   45    39    42    58.35000  112.70000
   45    55    56    80.00000  120.40000
   45    55    64    70.00000  116.00000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    71    75.00000  107.99600
   64    55    56    80.00000  120.40000
   64    71    72    80.00000  120.40000
   64    71    73    70.00000  116.00000
   66    64    65    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    66    35.00000  109.50000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    75.00000  107.99600
   73    71    72    80.00000  120.40000
   73    76    77    80.00000  120.40000
   73    76    78    70.00000  114.16300
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    90.00000   96.72000
   78    76    77    80.00000  121.30200
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   48    39    42    50.00000  109.50000
   48    39    45    50.00000  109.50000
   40    38    39    70.00000  124.00000
   40    50    51    45.00000  110.52000
   40    50    52    45.00000  110.52000
   40    50    57    70.00000  109.06800
   50    40    41    85.00000  112.85300
   50    57    58    80.00000  120.40000
   50    57    67    70.00000  116.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    67    68    35.00000  109.50000
   57    67    69    35.00000  109.50000
   57    67    70    35.00000  109.50000
   67    57    58    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    59    53   0.44750  1.0 1.0
   29    33    59    53  -0.17800 -1.0 2.0
   29    33    59    53   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    38    39    42   0.46850  1.0 1.0
   33    38    39    42   0.08550 -1.0 2.0
   33    38    39    42   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    39    48   0.18000  1.0 1.0
   33    38    39    48   0.16450 -1.0 2.0
   33    38    39    48   0.04450  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    59    53   0.62750  1.0 1.0
   34    33    59    53  -0.30950 -1.0 2.0
   34    33    59    53   0.27300  1.0 3.0
   34    33    59    60   0.23400  1.0 3.0
   34    33    59    61   0.23400  1.0 3.0
   38    33    59    53   0.34400  1.0 1.0
   38    33    59    53   0.09450 -1.0 2.0
   38    33    59    53   0.11100  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    39    42    43   0.15000  1.0 3.0
   38    39    42    44   0.15000  1.0 3.0
   38    39   -42    53   0.34400  1.0 1.0
   38    39   -42    53   0.09450 -1.0 2.0
   38    39   -42    53   0.11100  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    55  -0.98800  1.0 1.0
   38    39    45    55   0.48800 -1.0 2.0
   38    39    45    55   0.76800  1.0 3.0
   38    39    48    49  -0.07800  1.0 1.0
   38    39    48    49  -0.21500 -1.0 2.0
   38    39    48    49  -0.03150  1.0 3.0
   38    40    50    51   0.00000  1.0 1.0
   38    40    50    52   0.00000  1.0 1.0
   38    40    50    57  -0.51250  1.0 1.0
   38    40    50    57  -0.88800 -1.0 2.0
   38    40    50    57   0.08850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    50   7.00000 -1.0 2.0
   39    42    53    54   0.15000  1.0 3.0
   39    42    53    59   0.56750  1.0 1.0
   39    42    53    59  -0.07550 -1.0 2.0
   39    42    53    59   0.20000  1.0 3.0
   39    42    53    62   0.86500  1.0 1.0
   39    42    53    62  -0.17500 -1.0 2.0
   39    42    53    62   0.20800  1.0 3.0
   39    45    55    56   0.30150 -1.0 2.0
   39    45    55    64   0.60050  1.0 1.0
   39    45    55    64   0.05600 -1.0 2.0
   39    45    55    64   0.26150  1.0 3.0
   42    39    45    46   0.15000  1.0 3.0
   42    39    45    47   0.15000  1.0 3.0
   42    39    45    55  -0.95700  1.0 1.0
   42    39    45    55  -0.18200 -1.0 2.0
   42    39    45    55   0.29450  1.0 3.0
   42    39    48    49  -0.11600  1.0 1.0
   42    39    48    49  -0.09450 -1.0 2.0
   42    39    48    49   0.21250  1.0 3.0
   42    53   -59    33   0.56750  1.0 1.0
   42    53   -59    33  -0.07550 -1.0 2.0
   42    53   -59    33   0.20000  1.0 3.0
   42    53    59    60   0.15000  1.0 3.0
   42    53    59    61   0.15000  1.0 3.0
   42    53    62    63  -0.11600  1.0 1.0
   42    53    62    63  -0.09450 -1.0 2.0
   42    53    62    63   0.21250  1.0 3.0
   43    42    53    54   0.15000  1.0 3.0
   43    42    53    59   0.15000  1.0 3.0
   43    42    53    62   0.23400  1.0 3.0
   44    42    53    54   0.15000  1.0 3.0
   44    42    53    59   0.15000  1.0 3.0
   44    42    53    62   0.23400  1.0 3.0
   54    53    59    33   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   59    33   -38    39   0.46850  1.0 1.0
   59    33   -38    39   0.08550 -1.0 2.0
   59    33   -38    39   0.09800  1.0 3.0
   59    33    38    40   0.09850  1.0 1.0
   59    33    38    40   0.15250 -1.0 2.0
   59    33    38    40  -0.50650  1.0 3.0
   59    53    62    63  -0.11600  1.0 1.0
   59    53    62    63  -0.09450 -1.0 2.0
   59    53    62    63   0.21250  1.0 3.0
   62    53    59    33   0.86500  1.0 1.0
   62    53    59    33  -0.17500 -1.0 2.0
   62    53    59    33   0.20800  1.0 3.0
   62    53    59    60   0.23400  1.0 3.0
   62    53    59    61   0.23400  1.0 3.0
   45    39    42    43   0.15000  1.0 3.0
   45    39    42    44   0.15000  1.0 3.0
   45    39    42    53   0.56750  1.0 1.0
   45    39    42    53  -0.07550 -1.0 2.0
   45    39    42    53   0.20000  1.0 3.0
   45    39    48    49  -0.11600  1.0 1.0
   45    39    48    49  -0.09450 -1.0 2.0
   45    39    48    49   0.21250  1.0 3.0
   45    55    64    65   0.00000  1.0 1.0
   45    55    64    66   0.00000  1.0 1.0
   45    55    64    71   0.65300  1.0 1.0
   45    55    64    71  -0.03850 -1.0 2.0
   45    55    64    71   0.33900  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    64   0.00000  1.0 1.0
   47    45    55    56   0.00000  1.0 1.0
   47    45    55    64   0.00000  1.0 1.0
   55    64    71    72   0.30150 -1.0 2.0
   55    64    71    73   0.65300  1.0 1.0
   55    64    71    73  -0.03850 -1.0 2.0
   55    64    71    73   0.33900  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    71   0.30150 -1.0 2.0
   64    71    73    74   0.00000  1.0 1.0
   64    71    73    75   0.00000  1.0 1.0
   64    71    73    76   0.65300  1.0 1.0
   64    71    73    76  -0.03850 -1.0 2.0
   64    71    73    76   0.33900  1.0 3.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.00000  1.0 1.0
   66    64    71    72   0.00000  1.0 1.0
   66    64    71    73   0.00000  1.0 1.0
   71    73    76    77   0.30150 -1.0 2.0
   71    73    76    78   0.00000  1.0 1.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.30150 -1.0 2.0
   73    76    78    79  -0.11550  1.0 1.0
   73    76    78    79   1.88700 -1.0 2.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    78   0.00000  1.0 1.0
   76    78    79    80   0.24000  1.0 3.0
   76    78    79    81   0.24000  1.0 3.0
   76    78    79    82   0.24000  1.0 3.0
   77    76    78    79  -0.11550  1.0 1.0
   77    76    78    79   1.88700 -1.0 2.0
   48    39    42    43   0.23400  1.0 3.0
   48    39    42    44   0.23400  1.0 3.0
   48    39    42    53   0.86500  1.0 1.0
   48    39    42    53  -0.17500 -1.0 2.0
   48    39    42    53   0.20800  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    55  -0.09450  1.0 1.0
   48    39    45    55  -1.12950 -1.0 2.0
   48    39    45    55   0.54000  1.0 3.0
   40    38    39    42   0.09850  1.0 1.0
   40    38    39    42   0.15250 -1.0 2.0
   40    38    39    42  -0.50650  1.0 3.0
   40    38    39    45   0.09850  1.0 1.0
   40    38    39    45   0.15250 -1.0 2.0
   40    38    39    45  -0.50650  1.0 3.0
   40    38    39    48   0.67800  1.0 1.0
   40    38    39    48   0.47050 -1.0 2.0
   40    38    39    48  -0.62500  1.0 3.0
   40    50    57    58   0.30150 -1.0 2.0
   40    50    57    67   0.65300  1.0 1.0
   40    50    57    67  -0.03850 -1.0 2.0
   40    50    57    67   0.33900  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   0.00000  1.0 1.0
   41    40    50    57   0.09700  1.0 1.0
   41    40    50    57   0.15600 -1.0 2.0
   41    40    50    57  -0.50800  1.0 3.0
   50    57    67    68   0.00000  1.0 1.0
   50    57    67    69   0.00000  1.0 1.0
   50    57    67    70   0.00000  1.0 1.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    67   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    67   0.00000  1.0 1.0
   58    57    67    68   0.00000  1.0 1.0
   58    57    67    69   0.00000  1.0 1.0
   58    57    67    70   0.00000  1.0 1.0
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    39    38    40   1.10000 -1.0 2.0
   45    64    55    56  10.50000 -1.0 2.0
   64    73    71    72  10.50000 -1.0 2.0
   73    78    76    77  10.50000 -1.0 2.0
   50    41    40    38   1.10000 -1.0 2.0
   50    67    57    58  10.50000 -1.0 2.0
END
