* LIGAND DATABASE FILE (OPLS2005)
*
001      91    95    170    280     498
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02038    83.12878    50.82567
    3     1 S   H    _H1_     3     1.02117    34.54460  -171.03319
    4     1 S   H    _H2_     4     1.02070    96.49520   -57.28867
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.83518    98.14853  -158.21946
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C5B  _C10    37     1.49313   108.09537    60.00967
   38    33 S   C    _C20    70     1.52031   106.77850   -61.05153
   39    38 S   O    _O33    71     1.22482   124.82966    80.57990
   40    37 S   C5A  _C9_    38     1.47538   123.68474    32.41747
   41    40 S   HA   _H17    39     1.09576   123.04881     0.04846
   42    38 S   NM   _N6_    72     1.37989   110.18366   -96.37291
   43    40 S   NA   _N5_    40     1.28755   112.47608  -179.98022
   44    42 S   C    _C19    73     1.30396   110.66068   -10.65883
   45    44 S   O    _O34    74     1.24737   128.57015   176.36444
   46    43 S   C56A _C12    41     1.39922   103.88044     0.00000
   47    43 S   CT   _C8_    51     1.45519   131.70739  -179.95154
   48    47 S   HC   _H15    52     1.09464   107.89626   -30.02021
   49    47 S   HC   _H16    53     1.09379   108.64276  -147.50161
   50    33 S   CT   _C18    75     1.53916   111.44181  -170.54734
   51    50 S   HC   _H3_    76     1.09692   112.89954   -25.93059
   52    46 S   CA   _C13    42     1.44583   126.67731  -179.96044
   53    52 S   HA   _H18    43     1.08297   120.72464    -0.01978
   54    47 S   CT   _C7_    54     1.52114   109.47815    90.29445
   55    54 S   HC   _H13    55     1.09733   109.62614    59.14031
   56    54 S   HC   _H14    56     1.09695   108.72484   -57.58550
   57    50 S   C5B  _C21    77     1.50365   114.89645  -151.42240
   58    52 S   CA   _C14    44     1.34767   118.27902   179.97202
   59    58 S   HA   _H19    45     1.08396   121.26464   180.00000
   60    54 S   CT   _C6_    57     1.52297   112.01804  -178.72681
   61    60 S   HC   _H11    58     1.09352   112.34686   -60.01863
   62    60 S   HC   _H12    59     1.09419   112.02474    63.95902
   63    57 S   C5A  _C22    78     1.34676   129.40987   -82.36096
   64    63 S   HA   _H22    79     1.08059   126.58394    -0.06256
   65    58 S   CA   _C15    46     1.46040   120.65777     0.03956
   66    65 S   HA   _H20    47     1.08393   118.13614  -180.00000
   67    60 S   NP   _N4_    60     1.48401   109.05399  -178.03836
   68    67 S   H    _H7_    61     1.03420   107.80188    61.50523
   69    63 S   NA   _N7_    80     1.41151   112.59035  -179.98022
   70    69 S   H    _H23    81     1.01752   123.85596   180.00000
   71    65 S   CA   _C16    48     1.34787   120.57481    -0.09279
   72    71 S   HA   _H21    49     1.08357   121.13784  -179.96044
   73    67 S   CT   _C4_    62     1.50845   112.64417   178.15857
   74    73 S   HC   _H4_    63     1.09188   107.82794    62.30140
   75    73 S   HC   _H5_    64     1.09220   107.82475  -177.75991
   76    73 S   HC   _H6_    65     1.09170   107.85760   -57.69870
   77    67 S   CT   _C5_    66     1.50941   112.61874   -55.11500
   78    77 S   HC   _H8_    67     1.09156   107.78823   -62.30230
   79    77 S   HC   _H9_    68     1.09152   107.81672    57.68363
   80    77 S   HC   _H10    69     1.09107   107.83585   177.73410
   81    69 S   C56A _C23    82     1.28641   107.76269    -0.02798
   82    37 S   C56B _C11    50     1.34564   133.03452  -147.54825
   83    81 S   CA   _C24    83     1.46850   129.06625   179.98022
   84    83 S   HA   _H24    84     1.08235   120.41978     0.06853
   85    83 S   CA   _C25    85     1.34308   116.91188  -179.98022
   86    85 S   HA   _H25    86     1.08416   120.89378  -180.00000
   87    85 S   CA   _C26    87     1.45101   121.15428    -0.00000
   88    87 S   HA   _H26    88     1.08350   118.69562   179.86878
   89    87 S   CA   _C27    89     1.44771   122.54816     0.00000
   90    89 S   HA   _H27    90     1.08303   119.21880  -179.97202
   91    57 S   C56B _C28    91     1.44060   125.30291    97.64445
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  17   9   3  11   4   5  13   6   3  12  11   5
   4   9   3   7   4   9   5   4  10   6   3  12   5   4   7   4
   4   3   9   8   7   3   2   1   7   3   2   1   3   2   1   1
   8   1   7   4   6   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    82    38    39    42    44    50    51    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    43    46    71    82    38    39    42    44    45    50    51    57    63    91  
   35    36  
   36  
    0  
   40    41    43    46    52    65    71    72    82    47    38    39    42    44    50    51    57  
   39    42    44    45    50    51    57    40    82  
   42    44    50  
   41    43    46    52    71    82    47    48    49    54    50  
   43    46    82    47  
   44    45    50    51    57  
   46    52    53    58    71    82    47    48    49    54    55    56    60  
   45    50    51    57    63    91  
   50    51    57  
   52    53    58    59    65    71    72    82    47    48    49    54  
   48    49    54    55    56    60    61    62    67    52    82  
   49    54    55    56    60  
   54    55    56    60  
   51    57    63    64    69    81    89    91    82  
   57    63    91  
   53    58    59    65    66    71    82  
   58    59    65    82  
   55    56    60    61    62    67    68    73    77  
   56    60    61    62    67  
   60    61    62    67  
   63    64    69    70    81    83    87    89    90    91  
   59    65    66    71    72    82  
   65    66    71  
   61    62    67    68    73    74    75    76    77    78    79    80  
   62    67    68    73    77  
   67    68    73    77  
   64    69    70    81    83    89    91  
   69    70    81    91  
   66    71    72    82  
   71    72    82  
   68    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    80  
   70    81    83    84    85    89    91  
   81    83    91  
   72    82  
   82  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   83    84    85    86    87    89    90    91  
    0  
   84    85    86    87    88    89    91  
   85    86    87    91  
   86    87    88    89    90    91  
   87    88    89  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   0.223400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.750000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   42   3.4200   0.1700  -0.745000   1.9310   1.7100   0.005000000   0.000000000
   43   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   44   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.750000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.004100   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   67   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700   0.123300   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   295.000  1.494
   33    38   317.000  1.522
   33    50   268.000  1.529
   37    40   520.000  1.370
   37    82   380.000  1.440
   40    41   367.000  1.080
   40    43   427.000  1.381
   43    46   428.000  1.380
   43    47   320.000  1.443
   46    52   469.000  1.400
   46    82   447.000  1.419
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    65   469.000  1.400
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    82   469.000  1.404
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   367.000  1.471
   67    68   434.000  1.010
   67    73   367.000  1.471
   67    77   367.000  1.471
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   38    39   570.000  1.229
   38    42   495.000  1.346
   42    44   495.000  1.346
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   340.000  1.090
   50    57   295.000  1.494
   57    63   520.000  1.370
   57    91   380.000  1.440
   63    64   367.000  1.080
   63    69   427.000  1.381
   69    70   434.000  1.010
   69    81   428.000  1.380
   81    83   469.000  1.400
   81    91   447.000  1.419
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.404
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    70.00000  112.33000
   29    33    50    75.00000  111.63000
   33    37    40    55.00000  127.77900
   33    37    82    55.00000  128.73000
   33    38    39    80.00000  120.40000
   33    38    42    80.00000  112.12000
   33    50    44    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    57    70.00000  112.62400
   37    40    41    35.00000  130.70000
   37    40    43    70.00000  106.30000
   37    82    46    80.00000  107.43600
   37    82    71    50.00000  134.85500
   40    43    46    90.00000  107.14200
   40    43    47    65.00000  127.50000
   43    40    41    35.00000  121.60000
   43    46    52    70.00000  132.80000
   43    46    82    70.00000  104.40000
   43    47    48    50.00000  108.61900
   43    47    49    50.00000  108.61900
   43    47    54    75.00000  111.19500
   46    52    53    35.00000  120.00000
   46    52    58    85.00000  120.00000
   46    82    71    85.00000  116.20000
   52    58    59    35.00000  120.00000
   52    58    65    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    65    66    35.00000  120.00000
   58    65    71    63.00000  120.00000
   65    58    59    35.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    82    63.00000  120.00000
   71    65    66    35.00000  120.00000
   82    37    40    80.00000  105.82900
   82    46    52    85.00000  122.70000
   82    71    72    35.00000  120.00000
   47    43    46    65.00000  128.16600
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    67    80.00000  111.20000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    67    68    35.00000  109.50000
   60    67    73    75.00000  113.01200
   60    67    77    75.00000  113.01200
   62    60    61    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    62    35.00000  109.50000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   67    77    78    35.00000  109.50000
   67    77    79    35.00000  109.50000
   67    77    80    35.00000  109.50000
   73    67    68    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    67    68    35.00000  109.50000
   77    67    73    75.00000  113.01200
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   38    33    37    70.00000  109.44300
   38    42    44    75.00000  117.16000
   42    38    39    85.00000  128.94100
   42    44    45    85.00000  128.94100
   42    44    50    80.00000  112.12000
   44    50    51    35.00000  109.50000
   44    50    57    70.00000  109.44300
   50    33    37    70.00000  112.62400
   50    33    38    63.00000  111.10000
   50    44    45    80.00000  120.40000
   50    57    63    55.00000  127.77900
   50    57    91    55.00000  128.73000
   57    50    51    45.00000  111.11700
   57    63    64    35.00000  130.70000
   57    63    69    70.00000  106.30000
   57    91    81    80.00000  107.43600
   57    91    89    50.00000  134.85500
   63    69    70    35.00000  120.00000
   63    69    81    90.00000  107.14200
   69    63    64    35.00000  121.60000
   69    81    83    70.00000  132.80000
   69    81    91    70.00000  104.40000
   81    69    70    35.00000  123.10000
   81    83    84    35.00000  120.00000
   81    83    85    85.00000  120.00000
   81    91    89    85.00000  116.20000
   83    85    86    35.00000  120.00000
   83    85    87    63.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   91    57    63    80.00000  105.82900
   91    81    83    85.00000  122.70000
   91    89    90    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    82  -0.16000  1.0 1.0
   29    33    37    82  -0.03200 -1.0 2.0
   29    33    37    82   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    57   0.56750  1.0 1.0
   29    33    50    57  -0.07550 -1.0 2.0
   29    33    50    57   0.20000  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    82    46   3.62500 -1.0 2.0
   33    37    82    71   3.62500 -1.0 2.0
   33    38   -42    44   2.45000 -1.0 2.0
   33    50    57    63   0.04150 -1.0 2.0
   33    50    57    91   0.04150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.00000  1.0 1.0
   37    33    50    44   0.56750  1.0 1.0
   37    33    50    44  -0.07550 -1.0 2.0
   37    33    50    44   0.20000  1.0 3.0
   37    33    50    51   0.43200  1.0 3.0
   37    33    50    57  -0.94300  1.0 1.0
   37    33    50    57   1.32550 -1.0 2.0
   37    33    50    57  -0.07100  1.0 3.0
   37    40   -43    46   3.62500 -1.0 2.0
   37    40    43    47   3.62500 -1.0 2.0
   40    37   -82    46   3.50000 -1.0 2.0
   40    37    82    71   3.62500 -1.0 2.0
   40    43    46    52   3.62500 -1.0 2.0
   40    43   -46    82   3.62500 -1.0 2.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    49   0.00000  1.0 1.0
   40    43    47    54   1.10250  1.0 1.0
   40    43    47    54   0.01650 -1.0 2.0
   40    43    47    54   0.39100  1.0 3.0
   41    40    43    46   3.62500 -1.0 2.0
   41    40    43    47   3.62500 -1.0 2.0
   43    46    52    53   3.62500 -1.0 2.0
   43    46    52    58   3.62500 -1.0 2.0
   43    46   -82    37   3.00000 -1.0 2.0
   43    46    82    71   3.00000 -1.0 2.0
   43    47    54    55   0.15000  1.0 3.0
   43    47    54    56   0.15000  1.0 3.0
   43    47    54    60  -0.64600  1.0 1.0
   43    47    54    60   0.58400 -1.0 2.0
   46    43    47    48   0.00000  1.0 1.0
   46    43    47    49   0.00000  1.0 1.0
   46    43    47    54   1.10250  1.0 1.0
   46    43    47    54   0.01650 -1.0 2.0
   46    43    47    54   0.39100  1.0 3.0
   46    52    58    59   3.62500 -1.0 2.0
   46    52    58    65   3.62500 -1.0 2.0
   52    46    82    37   3.00000 -1.0 2.0
   52    46    82    71   3.00000 -1.0 2.0
   52    58    65    66   3.62500 -1.0 2.0
   52    58   -65    71   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    65   3.62500 -1.0 2.0
   58    65    71    72   3.62500 -1.0 2.0
   58    65    71    82   3.62500 -1.0 2.0
   59    58    65    66   3.62500 -1.0 2.0
   59    58    65    71   3.62500 -1.0 2.0
   65    71    82    37   3.62500 -1.0 2.0
   65    71   -82    46   3.50000 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    82   3.62500 -1.0 2.0
   72    71    82    37   3.62500 -1.0 2.0
   72    71    82    46   3.50000 -1.0 2.0
   82    37    40    41   3.62500 -1.0 2.0
   82    37   -40    43   3.62500 -1.0 2.0
   82    46    52    53   3.62500 -1.0 2.0
   82    46   -52    58   3.62500 -1.0 2.0
   47    43    46    52   3.62500 -1.0 2.0
   47    43    46    82   3.62500 -1.0 2.0
   47    54    60    61   0.15000  1.0 3.0
   47    54    60    62   0.15000  1.0 3.0
   47    54    60    67   1.36600  1.0 1.0
   47    54    60    67  -0.11450 -1.0 2.0
   47    54    60    67   0.24250  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    60   0.15000  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   49    47    54    60   0.15000  1.0 3.0
   54    60    67    68   0.17350  1.0 3.0
   54    60    67    73   0.47100  1.0 1.0
   54    60    67    77   0.47100  1.0 1.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    67   0.19200  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    67   0.19200  1.0 3.0
   60    67    73    74   0.15000  1.0 3.0
   60    67    73    75   0.15000  1.0 3.0
   60    67    73    76   0.15000  1.0 3.0
   60    67    77    78   0.15000  1.0 3.0
   60    67    77    79   0.15000  1.0 3.0
   60    67    77    80   0.15000  1.0 3.0
   61    60    67    68   0.13050  1.0 3.0
   61    60    67    73   0.15000  1.0 3.0
   61    60    67    77   0.15000  1.0 3.0
   62    60    67    68   0.13050  1.0 3.0
   62    60    67    73   0.15000  1.0 3.0
   62    60    67    77   0.15000  1.0 3.0
   68    67    73    74   0.13050  1.0 3.0
   68    67    73    75   0.13050  1.0 3.0
   68    67    73    76   0.13050  1.0 3.0
   68    67    77    78   0.13050  1.0 3.0
   68    67    77    79   0.13050  1.0 3.0
   68    67    77    80   0.13050  1.0 3.0
   73    67    77    78   0.15000  1.0 3.0
   73    67    77    79   0.15000  1.0 3.0
   73    67    77    80   0.15000  1.0 3.0
   77    67    73    74   0.15000  1.0 3.0
   77    67    73    75   0.15000  1.0 3.0
   77    67    73    76   0.15000  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    82   0.04300 -1.0 2.0
   38    33   -50    44   0.11950  1.0 1.0
   38    33   -50    44   0.20300 -1.0 2.0
   38    33   -50    44  -0.70800  1.0 3.0
   38    33    50    51  -0.11250  1.0 3.0
   38    33    50    57   0.56750  1.0 1.0
   38    33    50    57  -0.07550 -1.0 2.0
   38    33    50    57   0.20000  1.0 3.0
   38    42    44    45   2.45000 -1.0 2.0
   38    42   -44    50   2.45000 -1.0 2.0
   39    38    42    44   2.45000 -1.0 2.0
   42    44   -50    33   0.00000  1.0 1.0
   42    44    50    51   0.00000  1.0 1.0
   42    44    50    57   0.00000  1.0 1.0
   44    50    57    63   0.04300 -1.0 2.0
   44    50    57    91   0.04300 -1.0 2.0
   45    44    50    33   0.30150 -1.0 2.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    57   0.30150 -1.0 2.0
   50    33    37    40   0.04150 -1.0 2.0
   50    33    37    82   0.04150 -1.0 2.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    42   0.00000  1.0 1.0
   50    57    63    64   3.62500 -1.0 2.0
   50    57    63    69   3.62500 -1.0 2.0
   50    57    91    81   3.62500 -1.0 2.0
   50    57    91    89   3.62500 -1.0 2.0
   51    50    57    63   0.00000  1.0 1.0
   51    50    57    91   0.00000  1.0 1.0
   57    63    69    70   1.40000 -1.0 2.0
   57    63   -69    81   3.62500 -1.0 2.0
   63    57   -91    81   3.50000 -1.0 2.0
   63    57    91    89   3.62500 -1.0 2.0
   63    69    81    83   3.62500 -1.0 2.0
   63    69   -81    91   3.62500 -1.0 2.0
   64    63    69    70   2.00000 -1.0 2.0
   64    63    69    81   3.62500 -1.0 2.0
   69    81    83    84   3.62500 -1.0 2.0
   69    81    83    85   3.62500 -1.0 2.0
   69    81   -91    57   3.00000 -1.0 2.0
   69    81    91    89   3.00000 -1.0 2.0
   70    69    81    83   1.52500 -1.0 2.0
   70    69    81    91   1.52500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   81    83    85    87   3.62500 -1.0 2.0
   83    81    91    57   3.00000 -1.0 2.0
   83    81    91    89   3.00000 -1.0 2.0
   83    85    87    88   3.62500 -1.0 2.0
   83    85   -87    89   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87    89    91   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   87    89    91    57   3.62500 -1.0 2.0
   87    89   -91    81   3.50000 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   90    89    91    57   3.62500 -1.0 2.0
   90    89    91    81   3.50000 -1.0 2.0
   91    57    63    64   3.62500 -1.0 2.0
   91    57   -63    69   3.62500 -1.0 2.0
   91    81    83    84   3.62500 -1.0 2.0
   91    81   -83    85   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    82    37    33   4.00000 -1.0 2.0
   43    41    40    37   1.10000 -1.0 2.0
   46    47    43    40   4.00000 -1.0 2.0
   52    82    46    43   4.00000 -1.0 2.0
   58    53    52    46   1.10000 -1.0 2.0
   65    59    58    52   1.10000 -1.0 2.0
   71    66    65    58   1.10000 -1.0 2.0
   82    72    71    65   1.10000 -1.0 2.0
   46    71    82    37   4.00000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   63    91    57    50   4.00000 -1.0 2.0
   69    64    63    57   1.10000 -1.0 2.0
   70    63    69    81   1.00000 -1.0 2.0
   83    91    81    69   4.00000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   81    89    91    57   4.00000 -1.0 2.0
END
