* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    168    266     493
    1     0 S   NP   _N1_     1    28.78919    92.50902   -21.98784
    2     1 S   H    _HN1     2     1.02816    92.51784  -123.43026
    3     1 S   H    _H1_     3     1.02888   101.34949   -14.43221
    4     1 S   H    _H2_     4     1.02906    19.72577    95.79107
    5     1 S   CT   _CA1     5     1.50248   129.29772   115.33427
    6     5 S   HC   _HA1     6     1.09679   104.87431    54.72214
    7     5 S   CO3  _C1_     7     1.54153   111.05039   -62.65563
    8     7 S   O2Z  _O11     8     1.26130   116.18833   -93.54186
    9     7 S   O2Z  _O12     9     1.26417   114.28020    85.01722
   10     5 S   CT   _CB1    10     1.53142   107.18029   170.85944
   11    10 S   HC   HB11    11     1.09835   109.60946   -48.65004
   12    10 S   HC   HB12    12     1.09778   110.60281    68.00849
   13    10 S   CT   _CG1    13     1.52953   112.14256  -169.28480
   14    13 S   HC   HG11    14     1.09428   110.70105   -60.71433
   15    13 S   HC   HG12    15     1.09670   109.80699    58.25764
   16    13 S   C    _CD1    16     1.51778   112.35355   178.58390
   17    16 S   O    _OE1    17     1.22704   123.34799     0.36584
   18    16 S   N    _N2_    18     1.38539   111.52494  -179.26034
   19    18 S   H    _HN2    19     1.01611   118.88161     1.55658
   20    18 S   CT1  _CA2    20     1.46338   123.64237   177.24196
   21    20 S   HC   _HA2    21     1.09692   109.55697     0.07133
   22    20 S   C    _C2_    22     1.53636   108.76827  -115.81366
   23    22 S   O    _O2_    23     1.23078   122.08753  -153.97124
   24    20 S   CT   _CB2    32     1.53348   110.94753   122.54355
   25    24 S   HC   HB21    33     1.09395   108.15007    53.54674
   26    24 S   HC   HB22    34     1.09465   111.20934   172.21512
   27    22 S   N    _N3_    24     1.38253   113.93895    33.02549
   28    27 S   H    _HN3    25     1.01577   119.37497    -2.25125
   29    24 S   S    _SG2    35     1.82949   111.50358   -67.75858
   30    27 S   CT   _CA3    26     1.45296   123.52169   177.56643
   31    30 S   HC   HA31    27     1.09518   107.26043   -77.73257
   32    30 S   HC   HA32    28     1.09542   108.53591    38.88147
   33    29 S   CT   _C5_    36     1.84893   101.15044   161.50130
   34    33 S   HC   _H3_    37     1.09469   103.68038   104.52519
   35    30 S   CO3  _C3_    29     1.52974   113.76109   161.69259
   36    35 S   O2Z  _O31    30     1.26383   115.98901    14.51787
   37    35 S   O2Z  _O32    31     1.26413   114.49315  -165.48495
   38    33 S   CM   _C6_    38     1.54414   109.77471  -134.65765
   39    33 S   OS   _O33    85     1.43415   112.67204   -13.01209
   40    38 S   CMA  _C7_    39     1.36924   121.01361  -117.92539
   41    40 S   OM   _O34    40     1.26977   124.86459     3.34913
   42    38 S   CT   _C9_    46     1.54777   113.92059    65.40138
   43    42 S   HC   _H4_    47     1.09745   106.28626   -16.39835
   44    39 S   CT   _C4_    86     1.42193   112.80148   145.66469
   45    44 S   HC   _H8_    87     1.09330   108.14857   178.73622
   46    44 S   HC   _H9_    88     1.09371   110.88373    59.91009
   47    44 S   HC   _H10    89     1.09415   110.46193   -62.70222
   48    40 S   OS   _O35    41     1.41565   111.77912  -174.29065
   49    42 S   CT   _C10    48     1.53868   110.98797    98.76105
   50    49 S   HC   _H14    49     1.09828   109.51851    71.98325
   51    49 S   HC   _H15    50     1.09590   110.96531   -44.29706
   52    42 S   CT   _C23    78     1.55495   118.31212  -134.15968
   53    52 S   HC   _H7_    79     1.09624   110.18792   -70.10335
   54    48 S   CT   _C8_    42     1.42668   115.94151  -162.36054
   55    54 S   HC   _H11    43     1.09406   107.69772   174.37757
   56    54 S   HC   _H12    44     1.09516   111.13556    56.35917
   57    54 S   HC   _H13    45     1.09482   111.00686   -67.74538
   58    49 S   CT   _C11    51     1.52788   112.11908  -167.34234
   59    58 S   HC   _H5_    52     1.09778   108.54480  -169.22157
   60    52 S   CM   _C24    80     1.51127   112.34430    52.42593
   61    60 S   HC   _H27    81     1.08781   117.59266    60.22663
   62    58 S   C5A  _C12    53     1.49275   115.48512    69.12315
   63    60 S   CM   _C25    82     1.33798   124.12107  -120.37054
   64    63 S   HC   _H28    83     1.08459   120.44839  -179.88636
   65    63 S   HC   _H29    84     1.08423   121.60988     0.47724
   66    62 S   C5B  _C13    54     1.37984   124.79404  -145.49566
   67    62 S   NA   _N4_    65     1.36613   126.77004    33.80174
   68    67 S   H    _H20    66     1.01132   125.73408    -0.06561
   69    66 S   C56B _C14    55     1.42244   107.41555   176.57046
   70    66 S   CT   _C20    67     1.49282   122.27897     0.43386
   71    70 S   HC   _H21    68     1.09492   108.56554   112.33147
   72    70 S   HC   _H22    69     1.09594   110.14029  -131.08445
   73    69 S   CA   _C15    56     1.40912   134.34361  -176.97185
   74    73 S   HA   _H16    57     1.08625   120.79794    -0.94543
   75    70 S   CT   _C21    70     1.54291   112.54423    -9.10202
   76    75 S   HC   _H23    71     1.09501   111.73534   160.15923
   77    75 S   HC   _H24    72     1.09624   110.92545   -78.78708
   78    73 S   CA   _C16    58     1.39920   119.26663   178.43439
   79    78 S   HA   _H17    59     1.08724   119.57590  -179.46113
   80    58 S   NP   _N5_    73     1.53645   109.38717   -54.92006
   81    80 S   H    _H6_    74     1.02877   106.40224   -66.73934
   82    78 S   CA   _C17    60     1.39297   120.77052     0.20653
   83    82 S   HA   _H18    61     1.08730   119.48984  -179.83568
   84    80 S   CT   _C22    75     1.51739   115.16448    50.67833
   85    84 S   HC   _H25    76     1.09610   106.40392  -172.93784
   86    84 S   HC   _H26    77     1.09339   108.01046    70.22884
   87    82 S   CA   _C18    62     1.39727   121.06815    -0.24147
   88    87 S   HA   _H19    63     1.08501   120.89720  -179.38738
   89    69 S   C56A _C19    64     1.39872   106.94496     1.54978
  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   7   5   4   3
  14   5   2   1   1  16   6  10   3  17   8   3   2   1   1   4
  14   6   5  13   7   3   2   1   1  16   7   8   4  14   3   1
   1  15   9   3  12  10   5   4   7   4   7   4   3   6   3   4
   3   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    84    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    62    80    84    85    86    52    53    60    61    63    48  
   49    50    51    58    84    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    62    66    67    75    80    81    84    52    53    60  
   51    58    59    62    80    52  
   58    59    62    80    52  
   53    60    61    63    64    65    58    75    80    81    84    85    86  
   60    61    63    80    84    85    86  
   55    56    57  
   56    57  
   57  
    0  
   59    62    66    69    89    67    68    70    75    76    77    80    81    84    85    86  
   62    66    67    75    80    81    84  
   61    63    64    65    80    84    85    86  
   63    64    65    84  
   66    69    73    87    89    67    68    70    71    72    75    80    81    84  
   64    65    84  
   65  
    0  
   69    73    74    78    87    89    67    68    70    71    72    75    76    77    80  
   68    70    80    69    73    82    87    88    89  
   69    87    89  
   73    74    78    79    82    87    88    89    70    71    72    75  
   71    72    75    76    77    80    81    84    73    89  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    82    83    87    89  
   78    79    82    89  
   76    77    80    81    84    85    86  
   77    80    81    84  
   80    81    84  
   79    82    83    87    88    89  
   82    83    87  
   81    84    85    86  
   84    85    86  
   83    87    88    89  
   87    88    89  
   85    86  
   86  
    0  
   88    89  
   89  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    62   295.000  1.489
   58    80   367.000  1.471
   62    66   520.000  1.370
   62    67   427.000  1.381
   66    69   380.000  1.440
   66    70   295.000  1.494
   69    73   469.000  1.404
   69    89   447.000  1.419
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    82   469.000  1.400
   82    83   367.000  1.080
   82    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    67   428.000  1.380
   67    68   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   367.000  1.471
   80    81   434.000  1.010
   80    84   367.000  1.471
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    52   268.000  1.529
   52    53   340.000  1.090
   52    60   317.000  1.510
   60    61   340.000  1.080
   60    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    84    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    70.00000  112.02700
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    62    70.00000  113.44400
   49    58    80    80.00000  111.20000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    62    66    55.00000  130.44200
   58    62    67    65.00000  122.56900
   58    80    75    75.00000  113.01200
   58    80    81    35.00000  109.50000
   58    80    84    75.00000  113.01200
   62    58    59    45.00000  110.47400
   62    66    69    80.00000  105.82900
   62    66    70    55.00000  127.77900
   62    67    89    90.00000  107.14200
   62    67    68    35.00000  120.00000
   66    69    73    50.00000  134.85500
   66    69    89    80.00000  107.43600
   66    70    71    45.00000  111.11700
   66    70    72    45.00000  111.11700
   66    70    75    70.00000  112.62400
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    89    87    85.00000  122.70000
   69    89    67    70.00000  104.40000
   73    78    79    35.00000  120.00000
   73    78    82    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    82    83    35.00000  120.00000
   78    82    87    63.00000  120.00000
   82    78    79    35.00000  120.00000
   82    87    88    35.00000  120.00000
   82    87    89    85.00000  120.00000
   87    82    83    35.00000  120.00000
   87    89    67    70.00000  132.80000
   89    69    73    85.00000  116.20000
   89    87    88    35.00000  120.00000
   89    67    68    35.00000  123.10000
   67    62    66    70.00000  106.30000
   70    66    69    55.00000  128.73000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    80.00000  111.20000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    35.00000  109.50000
   75    80    84    75.00000  113.01200
   77    75    76    33.00000  107.80000
   80    58    59    35.00000  109.50000
   80    58    62    75.00000  111.64000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    52    80.00000  111.20000
   84    80    81    35.00000  109.50000
   84    52    53    37.50000  110.70000
   84    52    60    70.00000  112.02700
   86    84    85    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    84    85    37.50000  110.70000
   52    84    86    37.50000  110.70000
   52    60    61    35.00000  117.00000
   52    60    63    70.00000  124.00000
   60    52    53    35.00000  109.50000
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   63    60    61    35.00000  120.00000
   65    63    64    35.00000  117.00000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.32350  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   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    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    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    84   0.34400  1.0 1.0
   38    42    52    84   0.09450 -1.0 2.0
   38    42    52    84   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.31000  1.0 1.0
   38    42    52    60   0.14700 -1.0 2.0
   38    42    52    60   0.07550  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    62  -0.03700  1.0 1.0
   42    49    58    62   0.37200 -1.0 2.0
   42    49    58    62  -0.47300  1.0 3.0
   42    49    58    80   1.36600  1.0 1.0
   42    49    58    80  -0.11450 -1.0 2.0
   42    49    58    80   0.24250  1.0 3.0
   42    52    60    61   0.00000  1.0 1.0
   42    52    60    63   0.09850  1.0 1.0
   42    52    60    63   0.15250 -1.0 2.0
   42    52    60    63  -0.50650  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    84   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    84   0.56750  1.0 1.0
   49    42    52    84  -0.07550 -1.0 2.0
   49    42    52    84   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.34400  1.0 1.0
   49    42    52    60   0.09450 -1.0 2.0
   49    42    52    60   0.11100  1.0 3.0
   49    58    62    66   0.04150 -1.0 2.0
   49    58    62    67   0.39850  1.0 1.0
   49    58    62    67   0.06450 -1.0 2.0
   49    58    62    67   0.32400  1.0 3.0
   49    58    80    75   0.47100  1.0 1.0
   49    58    80    81   0.17350  1.0 3.0
   49    58   -80    84   0.47100  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    62   0.43200  1.0 3.0
   50    49    58    80   0.19200  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    62   0.43200  1.0 3.0
   51    49    58    80   0.19200  1.0 3.0
   58    62    66    69   3.62500 -1.0 2.0
   58    62    66    70   3.62500 -1.0 2.0
   58    62    67    89   3.62500 -1.0 2.0
   58    62    67    68   2.00000 -1.0 2.0
   58    80    84    85   0.15000  1.0 3.0
   58    80    84    86   0.15000  1.0 3.0
   58    80    84    52   0.47100  1.0 1.0
   59    58    62    66   0.00000  1.0 1.0
   59    58    62    67   0.00000  1.0 1.0
   59    58    80    75   0.15000  1.0 3.0
   59    58    80    81   0.13050  1.0 3.0
   59    58    80    84   0.15000  1.0 3.0
   62    58    80    75   0.03550  1.0 1.0
   62    58    80    75   0.09800 -1.0 2.0
   62    58    80    81   0.17350  1.0 3.0
   62    58    80    84   0.03550  1.0 1.0
   62    58    80    84   0.09800 -1.0 2.0
   62    66    69    73   3.62500 -1.0 2.0
   62    66   -69    89   3.50000 -1.0 2.0
   62    66    70    71   0.00000  1.0 1.0
   62    66    70    72   0.00000  1.0 1.0
   62    66   -70    75   0.04150 -1.0 2.0
   66    62   -67    89   3.62500 -1.0 2.0
   66    62    67    68   1.40000 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   66    69    89    87   3.00000 -1.0 2.0
   66    69   -89    67   3.00000 -1.0 2.0
   66    70    75    76   0.43200  1.0 3.0
   66    70    75    77   0.43200  1.0 3.0
   66    70    75    80   1.24050  1.0 1.0
   66    70    75    80   0.48100 -1.0 2.0
   66    70    75    80   1.08150  1.0 3.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    75   0.04150 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    82   3.62500 -1.0 2.0
   69    89   -67    62   3.62500 -1.0 2.0
   69    89    67    68   1.52500 -1.0 2.0
   73    69    89    87   3.00000 -1.0 2.0
   73    69    89    67   3.00000 -1.0 2.0
   73    78    82    83   3.62500 -1.0 2.0
   73    78   -82    87   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    82   3.62500 -1.0 2.0
   78    82    87    88   3.62500 -1.0 2.0
   78    82    87    89   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    78    82    87   3.62500 -1.0 2.0
   82    87   -89    69   3.62500 -1.0 2.0
   82    87    89    67   3.62500 -1.0 2.0
   83    82    87    88   3.62500 -1.0 2.0
   83    82    87    89   3.62500 -1.0 2.0
   87    89    67    62   3.62500 -1.0 2.0
   87    89    67    68   1.52500 -1.0 2.0
   88    87    89    69   3.62500 -1.0 2.0
   88    87    89    67   3.62500 -1.0 2.0
   89    69    73    74   3.50000 -1.0 2.0
   89    69   -73    78   3.50000 -1.0 2.0
   67    62   -66    69   3.62500 -1.0 2.0
   67    62    66    70   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   70    66    69    89   3.62500 -1.0 2.0
   70    75   -80    58   0.47100  1.0 1.0
   70    75    80    81   0.17350  1.0 3.0
   70    75    80    84   0.47100  1.0 1.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.19200  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.19200  1.0 3.0
   75    80    84    85   0.15000  1.0 3.0
   75    80    84    86   0.15000  1.0 3.0
   75    80    84    52   0.47100  1.0 1.0
   76    75    80    58   0.15000  1.0 3.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    84   0.15000  1.0 3.0
   77    75    80    58   0.15000  1.0 3.0
   77    75    80    81   0.13050  1.0 3.0
   77    75    80    84   0.15000  1.0 3.0
   80    58   -62    66  -0.46400 -1.0 2.0
   80    58    62    67   0.04300 -1.0 2.0
   80    84   -52    42   1.36600  1.0 1.0
   80    84   -52    42  -0.11450 -1.0 2.0
   80    84   -52    42   0.24250  1.0 3.0
   80    84    52    53   0.19200  1.0 3.0
   80    84    52    60  -0.47300  1.0 1.0
   80    84    52    60   0.29700 -1.0 2.0
   80    84    52    60   0.83300  1.0 3.0
   81    80    84    85   0.13050  1.0 3.0
   81    80    84    86   0.13050  1.0 3.0
   81    80    84    52   0.17350  1.0 3.0
   84    52    60    61   0.00000  1.0 1.0
   84    52    60    63   0.09850  1.0 1.0
   84    52    60    63   0.15250 -1.0 2.0
   84    52    60    63  -0.50650  1.0 3.0
   85    84    52    42   0.15000  1.0 3.0
   85    84    52    53   0.15000  1.0 3.0
   85    84    52    60   0.15000  1.0 3.0
   86    84    52    42   0.15000  1.0 3.0
   86    84    52    53   0.15000  1.0 3.0
   86    84    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    63    64   7.00000 -1.0 2.0
   52    60    63    65   7.00000 -1.0 2.0
   53    52    60    61   0.33100  1.0 3.0
   53    52    60    63   0.00000  1.0 1.0
   61    60    63    64   7.00000 -1.0 2.0
   61    60    63    65   7.00000 -1.0 2.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  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
   33    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   66    67    62    58   4.00000 -1.0 2.0
   69    70    66    62   4.00000 -1.0 2.0
   73    89    69    66   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   82    79    78    73   1.10000 -1.0 2.0
   87    83    82    78   1.10000 -1.0 2.0
   89    88    87    82   1.10000 -1.0 2.0
   87    67    89    69   4.00000 -1.0 2.0
   68    62    67    89   1.00000 -1.0 2.0
   52    61    60    63  15.00000 -1.0 2.0
   64    65    63    60  15.00000 -1.0 2.0
END
