* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    161    248     458
    1     0 S   NP   _N1_     1    28.60114    96.41727   -22.92534
    2     1 S   H    _HN1     2     1.02778   104.06058  -104.38834
    3     1 S   H    _H1_     3     1.02960    76.68984     1.49750
    4     1 S   H    _H2_     4     1.02836    33.97225   154.37360
    5     1 S   CT   _CA1     5     1.50123   137.48462   107.28312
    6     5 S   HC   _HA1     6     1.09576   105.22897    85.11642
    7     5 S   CO3  _C1_     7     1.53783   112.36237   -35.08193
    8     7 S   O2Z  _O11     8     1.26360   115.00404   -44.40268
    9     7 S   O2Z  _O12     9     1.26237   114.91877   134.74365
   10     5 S   CT   _CB1    10     1.53098   107.42727  -156.99522
   11    10 S   HC   HB11    11     1.09827   109.31515   -50.90679
   12    10 S   HC   HB12    12     1.09819   110.42470    65.62660
   13    10 S   CT   _CG1    13     1.53023   112.69292  -172.01244
   14    13 S   HC   HG11    14     1.09594   110.46630   -64.01930
   15    13 S   HC   HG12    15     1.09650   109.97491    55.20936
   16    13 S   C    _CD1    16     1.51795   112.27920   175.53876
   17    16 S   O    _OE1    17     1.22761   123.34242    -1.64592
   18    16 S   N    _N2_    18     1.38595   111.80003   178.42207
   19    18 S   H    _HN2    19     1.01598   119.15341     4.03099
   20    18 S   CT1  _CA2    20     1.45685   122.61809   178.32065
   21    20 S   HC   _HA2    21     1.09431   109.71440    19.92796
   22    20 S   C    _C2_    22     1.52660   105.16306   -97.11537
   23    22 S   O    _O2_    23     1.22955   122.38251   -79.31606
   24    20 S   CT   _CB2    32     1.53097   111.88792   143.24149
   25    24 S   HC   HB21    33     1.09630   110.46311    53.64163
   26    24 S   HC   HB22    34     1.09583   110.65919   171.49310
   27    22 S   N    _N3_    24     1.38529   112.73073    96.86107
   28    27 S   H    _HN3    25     1.01509   119.69492     2.02217
   29    24 S   S    _SG2    35     1.82937   113.63324   -66.23175
   30    27 S   CT   _CA3    26     1.45431   123.09577   177.51856
   31    30 S   HC   HA31    27     1.09523   109.12515    27.55830
   32    30 S   HC   HA32    28     1.09482   107.15513   144.74670
   33    29 S   CT   _C20    36     1.82836    99.57829   -65.80328
   34    33 S   HC   _H3_    37     1.09493   108.54648   -44.62610
   35    33 S   HC   _H4_    38     1.09065   105.56404    72.59909
   36    30 S   CO3  _C3_    29     1.53053   113.37792   -95.57229
   37    36 S   O2Z  _O31    30     1.26398   115.72942   -33.71235
   38    36 S   O2Z  _O32    31     1.26399   114.75033   147.10135
   39    33 S   CT   _C9_    39     1.53221   112.82579  -167.70143
   40    39 S   HC   _H31    40     1.09685   110.87205   -52.93009
   41    39 S   CO4  _C4_    41     1.50599   110.49425    68.38622
   42    41 S   O    _O18    42     1.22120   126.00360   -79.20448
   43    41 S   OS   _O20    43     1.35959   109.97848    99.01964
   44    43 S   CT   _C12    44     1.43998   111.32605     7.08895
   45    44 S   HC   _H34    45     1.09318   107.47428  -104.94688
   46    39 S   CT   _C10    46     1.55079   116.26860  -177.18833
   47    46 S   HC   _H32    47     1.10051   105.22724   157.67696
   48    44 S   C3T  _C13    63     1.49586   107.05437   134.02661
   49    48 S   HC   _H35    64     1.08299   112.45659   -89.26030
   50    46 S   CT   _C14    48     1.55022   114.56199    40.43843
   51    50 S   HC   _H36    49     1.10007   104.81342    41.84400
   52    77 S   O3T  _O22    65     1.43316   114.79727  -147.53586
   53    50 S   CT   _C8_    50     1.54699   116.69431   157.12658
   54    53 S   HC   _H29    51     1.09830   107.72848  -163.77315
   55    53 S   HC   _H30    52     1.09767   108.31305   -50.06805
   56    50 S   OS   _O23    75     1.44160   110.20266   -74.19322
   57    53 S   C3T  _C16    53     1.51517   118.43520    75.87711
   58    56 S   CO4  _C5_    76     1.36487   117.98255   148.39253
   59    58 S   O    _O19    77     1.22272   126.38198     1.84822
   60    57 S   C3T  _C11    54     1.53166   118.73265  -110.75476
   61    60 S   HC   _H33    55     1.08283   119.85902     5.02921
   62    57 S   CT   _C19    71     1.50317   117.20040    58.39815
   63    62 S   HC   _H43    72     1.09410   112.70441   161.55598
   64    62 S   HC   _H44    73     1.09498   110.39596    42.83889
   65    62 S   HC   _H45    74     1.09175   110.98990   -77.53767
   66    58 S   CT   _C17    78     1.49840   109.43478  -178.17963
   67    66 S   HC   _H37    79     1.09255   109.85606   -65.38609
   68    66 S   HC   _H38    80     1.09371   109.35321   175.23618
   69    66 S   HC   _H39    81     1.09308   109.80186    56.46161
   70    60 S   CT   _C6_    56     1.49861   123.03076   159.03017
   71    70 S   HC   _H25    57     1.09652   108.61322   138.77389
   72    70 S   HC   _H26    58     1.09367   111.89342    21.79653
   73    57 S   O3T  _O21    70     1.45021   111.91469  -174.02844
   74    70 S   CT   _C7_    59     1.53426   111.81995  -101.46378
   75    74 S   HC   _H27    60     1.09641   109.47537   177.72445
   76    74 S   HC   _H28    61     1.09799   108.91784   -66.43120
   77    74 S   C3T  _C15    62     1.50830   112.04657    55.49112
   78    77 S   CT   _C18    66     1.49812   116.88859    79.89640
   79    78 S   HC   _H40    67     1.09364   112.68257   179.33707
   80    78 S   HC   _H41    68     1.09561   109.87974    59.94624
   81    78 S   HC   _H42    69     1.09220   111.23955   -58.92711
  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
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  12   6   9  13   6   5   7  11   5   4  13   6   5   3   2
   1   3   2   1   1   8   6   5   1   7   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    77    48    49    52  
   45    46    47    50    51    53    74    77    48    49    52    78    56  
   46    47    50    77    48    49    52  
   47    50    51    53    54    55    57    77    48    49    52    56    58  
   50    51    53    48    56  
   49    52    78    79    80    81    50    70    74    75    76    77  
   52    78    74    77  
   51    53    54    55    57    60    73    62    56    58    59    66  
   53    54    55    57    56    58  
   78    79    80    81    70    74    75    76    77  
   54    55    57    60    61    70    73    62    63    64    65    56    58  
   55    57    60    73    62    56  
   57    60    73    62    56  
   58    59    66    67    68    69    57  
   60    61    70    71    72    74    73    62    63    64    65  
   59    66    67    68    69  
   66    67    68    69  
   61    70    71    72    74    75    76    77    73    62    63    64    65  
   70    71    72    74    73    62  
   63    64    65    70    73  
   64    65    73  
   65    73  
   73  
   67    68    69  
   68    69  
   69  
    0  
   71    72    74    75    76    77    78    73  
   72    74    75    76    77    73  
   74    75    76    77    73  
   74  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   275.000  1.510
   57    60   260.000  1.509
   57    73   335.000  1.432
   57    62   275.000  1.510
   60    61   340.000  1.088
   60    70   275.000  1.510
   60    73   335.000  1.432
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   275.000  1.510
   77    48   260.000  1.509
   77    52   335.000  1.432
   77    78   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    77    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.37300
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    60.00000  120.94000
   53    57    73    80.00000  116.47100
   53    57    62    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    45.00000  109.38400
   57    53    55    45.00000  109.38400
   57    60    61    37.50000  117.20000
   57    60    70    60.00000  120.94000
   57    60    73    15.00000   60.43100
   57    73    60    15.00000   59.14900
   57    62    63    45.00000  109.38400
   57    62    64    45.00000  109.38400
   57    62    65    45.00000  109.38400
   60    70    71    45.00000  109.38400
   60    70    72    45.00000  109.38400
   60    70    74    70.00000  112.37300
   70    60    61    40.00000  115.04500
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    70.00000  112.37300
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    77    48    60.00000  120.94000
   74    77    52    80.00000  116.47100
   74    77    78    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    45.00000  109.38400
   77    74    76    45.00000  109.38400
   77    48    49    37.50000  117.20000
   77    48    52    15.00000   60.43100
   77    52    48    15.00000   59.14900
   77    78    79    45.00000  109.38400
   77    78    80    45.00000  109.38400
   77    78    81    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    77    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   78    77    48    60.00000  120.94000
   78    77    52    80.00000  116.47100
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   73    57    60    15.00000   60.43100
   73    60    61    50.00000  114.27700
   73    60    70    80.00000  116.47100
   62    57    60    60.00000  120.94000
   62    57    73    80.00000  116.47100
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    77  -0.26800  1.0 1.0
   43    44    48    77   0.69150 -1.0 2.0
   43    44    48    77  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    77   0.06250  1.0 1.0
   44    48   -52    77  -0.01100 -1.0 2.0
   44    48   -52    77   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    77   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    77   0.07850  1.0 1.0
   46    44    48    77  -0.03950 -1.0 2.0
   46    44    48    77   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.47050  1.0 1.0
   46    50    53    57   0.03900 -1.0 2.0
   46    50    53    57   0.20100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.07850  1.0 1.0
   50    53    57    60  -0.03950 -1.0 2.0
   50    53    57    60   0.67350  1.0 3.0
   50    53    57    73   0.02550  1.0 1.0
   50    53    57    73  -0.02600 -1.0 2.0
   50    53    57    73   1.20400  1.0 3.0
   50    53    57    62   0.56750  1.0 1.0
   50    53    57    62  -0.07550 -1.0 2.0
   50    53    57    62   0.20000  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    66   1.63150  1.0 1.0
   50    56    58    66   2.92000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   0.15000  1.0 3.0
   53    57    60    70   0.56750  1.0 1.0
   53    57    60    70  -0.07550 -1.0 2.0
   53    57    60    70   0.20000  1.0 3.0
   53    57   -60    73   0.02550  1.0 1.0
   53    57   -60    73  -0.02600 -1.0 2.0
   53    57   -60    73   1.20400  1.0 3.0
   53    57   -73    60   0.06250  1.0 1.0
   53    57   -73    60  -0.01100 -1.0 2.0
   53    57   -73    60   0.28050  1.0 3.0
   53    57    62    63   0.15000  1.0 3.0
   53    57    62    64   0.15000  1.0 3.0
   53    57    62    65   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    73   0.23400  1.0 3.0
   54    53    57    62   0.15000  1.0 3.0
   55    53    57    60   0.15000  1.0 3.0
   55    53    57    73   0.23400  1.0 3.0
   55    53    57    62   0.15000  1.0 3.0
   57    60    70    71   0.15000  1.0 3.0
   57    60    70    72   0.15000  1.0 3.0
   57    60    70    74   0.07850  1.0 1.0
   57    60    70    74  -0.03950 -1.0 2.0
   57    60    70    74   0.67350  1.0 3.0
   60    57    62    63   0.15000  1.0 3.0
   60    57    62    64   0.15000  1.0 3.0
   60    57    62    65   0.15000  1.0 3.0
   60    70    74    75   0.15000  1.0 3.0
   60    70    74    76   0.15000  1.0 3.0
   60    70    74    77   0.47050  1.0 1.0
   60    70    74    77   0.03900 -1.0 2.0
   60    70    74    77   0.20100  1.0 3.0
   61    60    70    71   0.15000  1.0 3.0
   61    60    70    72   0.15000  1.0 3.0
   61    60    70    74   0.15000  1.0 3.0
   61    60   -73    57   0.36800  1.0 3.0
   70    60   -73    57   0.06250  1.0 1.0
   70    60   -73    57  -0.01100 -1.0 2.0
   70    60   -73    57   0.28050  1.0 3.0
   70    74    77    48   0.07850  1.0 1.0
   70    74    77    48  -0.03950 -1.0 2.0
   70    74    77    48   0.67350  1.0 3.0
   70    74    77    52   0.02550  1.0 1.0
   70    74    77    52  -0.02600 -1.0 2.0
   70    74    77    52   1.20400  1.0 3.0
   70    74    77    78   0.56750  1.0 1.0
   70    74    77    78  -0.07550 -1.0 2.0
   70    74    77    78   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    77   0.15000  1.0 3.0
   74    77    48    44   0.56750  1.0 1.0
   74    77    48    44  -0.07550 -1.0 2.0
   74    77    48    44   0.20000  1.0 3.0
   74    77    48    49   0.15000  1.0 3.0
   74    77   -48    52   0.02550  1.0 1.0
   74    77   -48    52  -0.02600 -1.0 2.0
   74    77   -48    52   1.20400  1.0 3.0
   74    77   -52    48   0.06250  1.0 1.0
   74    77   -52    48  -0.01100 -1.0 2.0
   74    77   -52    48   0.28050  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   75    74    77    48   0.15000  1.0 3.0
   75    74    77    52   0.23400  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   76    74    77    48   0.15000  1.0 3.0
   76    74    77    52   0.23400  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    77    78    79   0.15000  1.0 3.0
   48    77    78    80   0.15000  1.0 3.0
   48    77    78    81   0.15000  1.0 3.0
   49    48   -52    77   0.36800  1.0 3.0
   52    77   -48    44   0.02550  1.0 1.0
   52    77   -48    44  -0.02600 -1.0 2.0
   52    77   -48    44   1.20400  1.0 3.0
   52    77   -48    49   0.23400  1.0 3.0
   52    77    78    79   0.23400  1.0 3.0
   52    77    78    80   0.23400  1.0 3.0
   52    77    78    81   0.23400  1.0 3.0
   78    77    48    44   0.56750  1.0 1.0
   78    77    48    44  -0.07550 -1.0 2.0
   78    77    48    44   0.20000  1.0 3.0
   78    77    48    49   0.15000  1.0 3.0
   78    77   -48    52   0.02550  1.0 1.0
   78    77   -48    52  -0.02600 -1.0 2.0
   78    77   -48    52   1.20400  1.0 3.0
   78    77   -52    48   0.06250  1.0 1.0
   78    77   -52    48  -0.01100 -1.0 2.0
   78    77   -52    48   0.28050  1.0 3.0
   73    57   -60    61   0.23400  1.0 3.0
   73    57   -60    70   0.02550  1.0 1.0
   73    57   -60    70  -0.02600 -1.0 2.0
   73    57   -60    70   1.20400  1.0 3.0
   73    57    62    63   0.23400  1.0 3.0
   73    57    62    64   0.23400  1.0 3.0
   73    57    62    65   0.23400  1.0 3.0
   73    60    70    71   0.23400  1.0 3.0
   73    60    70    72   0.23400  1.0 3.0
   73    60    70    74   0.02550  1.0 1.0
   73    60    70    74  -0.02600 -1.0 2.0
   73    60    70    74   1.20400  1.0 3.0
   62    57    60    61   0.15000  1.0 3.0
   62    57    60    70   0.56750  1.0 1.0
   62    57    60    70  -0.07550 -1.0 2.0
   62    57    60    70   0.20000  1.0 3.0
   62    57   -60    73   0.02550  1.0 1.0
   62    57   -60    73  -0.02600 -1.0 2.0
   62    57   -60    73   1.20400  1.0 3.0
   62    57   -73    60   0.06250  1.0 1.0
   62    57   -73    60  -0.01100 -1.0 2.0
   62    57   -73    60   0.28050  1.0 3.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57  -0.26800  1.0 1.0
   56    50    53    57   0.69150 -1.0 2.0
   56    50    53    57  -0.48750  1.0 3.0
   56    58    66    67   0.00000  1.0 1.0
   56    58    66    68   0.00000  1.0 1.0
   56    58    66    69   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   56    66    58    59  10.50000 -1.0 2.0
END
