* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    167    252     493
    1     0 S   NP   _N1_     1    28.18120    96.24403   -24.37351
    2     1 S   H    _HN1     2     1.02838    31.06094   168.32980
    3     1 S   H    _H1_     3     1.02776   111.34558  -102.22546
    4     1 S   H    _H2_     4     1.02959    76.91336     2.60158
    5     1 S   CT   _CA1     5     1.50136   130.09895   108.38100
    6     5 S   HC   _HA1     6     1.09576   105.20461    87.70689
    7     5 S   CO3  _C1_     7     1.53766   112.34926   -32.45416
    8     7 S   O2Z  _O11     8     1.26363   114.98586   -44.11197
    9     7 S   O2Z  _O12     9     1.26233   114.92480   134.92034
   10     5 S   CT   _CB1    10     1.53092   107.42100  -154.41243
   11    10 S   HC   HB11    11     1.09829   109.27403   -50.68880
   12    10 S   HC   HB12    12     1.09815   110.45113    65.84430
   13    10 S   CT   _CG1    13     1.53034   112.70440  -171.76551
   14    13 S   HC   HG11    14     1.09593   110.51372   -65.33884
   15    13 S   HC   HG12    15     1.09660   109.89613    53.87180
   16    13 S   C    _CD1    16     1.51849   112.27590   174.20228
   17    16 S   O    _OE1    17     1.22760   123.27703     1.72805
   18    16 S   N    _N2_    18     1.38571   111.76488  -178.22502
   19    18 S   H    _HN2    19     1.01561   119.03340     4.05859
   20    18 S   CT1  _CA2    20     1.45816   122.80259   177.26562
   21    20 S   HC   _HA2    21     1.09734   108.94132    24.42091
   22    20 S   C    _C2_    22     1.52991   107.05163   -92.50930
   23    22 S   O    _O2_    23     1.22970   123.09624   -25.16758
   24    20 S   CT   _CB2    32     1.53228   112.28131   147.62624
   25    24 S   HC   HB21    33     1.09418   109.84558    55.12692
   26    24 S   HC   HB22    34     1.09443   109.54632   173.61236
   27    22 S   N    _N3_    24     1.38489   112.52659   157.44610
   28    27 S   H    _HN3    25     1.01646   120.33465    -2.00037
   29    24 S   S    _SG2    35     1.83005   110.95922   -66.60594
   30    27 S   CT   _CA3    26     1.45342   122.53921   179.23895
   31    30 S   HC   HA31    27     1.09536   108.01862   -51.65097
   32    30 S   HC   HA32    28     1.09557   107.42792    64.66053
   33    29 S   CT   _C12    36     1.86668   101.32976   172.70510
   34    30 S   CO3  _C3_    29     1.52902   114.24327  -173.77877
   35    34 S   O2Z  _O31    30     1.26346   116.02763     1.99390
   36    34 S   O2Z  _O32    31     1.26424   114.43281  -178.14238
   37    33 S   CM   _C16    37     1.52835   107.00576  -179.56976
   38    33 S   CM   _C11    67     1.51440   108.41509    57.33009
   39    38 S   HC   _H16    68     1.08962   115.97236    65.58258
   40    37 S   CMA  _C15    38     1.35178   112.56071    97.62338
   41    40 S   OM   _O35    39     1.25722   135.48421  -178.55572
   42    37 S   CT   _C17    46     1.50789   122.87960   -79.32582
   43    42 S   HC   _H21    47     1.09639   109.99861    29.00275
   44    42 S   HC   _H22    48     1.09793   109.57077   144.14194
   45    38 S   CM   _C10    69     1.34343   126.94763  -112.00423
   46    45 S   HC   _H15    70     1.08616   120.16726    -0.20367
   47    40 S   CT   _C14    40     1.50945   109.92796     0.62338
   48    47 S   HC   _H19    41     1.09691   113.63468   136.24968
   49    47 S   HC   _H20    42     1.09736   110.95541  -101.00131
   50    42 S   CT   _C18    49     1.53219   112.55812   -94.43841
   51    50 S   HC   _H23    50     1.09722   109.74782   -59.93163
   52    50 S   HC   _H24    51     1.09584   110.49401    57.52725
   53    45 S   CT   _C9_    71     1.50273   123.45224   178.68404
   54    53 S   HC   _H3_    72     1.09673   110.46345    16.91276
   55    33 S   CT   _C13    43     1.54361   111.16533   -71.37086
   56    55 S   HC   _H17    44     1.09948   110.76315   159.50703
   57    55 S   HC   _H18    45     1.09406   114.74274    38.95740
   58    50 S   CT   _C19    52     1.53021   111.14243   178.97684
   59    58 S   HC   _H25    53     1.09678   109.58489    58.61744
   60    58 S   HC   _H26    54     1.09682   109.53498   -58.70725
   61    53 S   CT   _C8_    73     1.53524   113.28661  -104.58773
   62    61 S   HC   _H13    74     1.09749   109.41536    64.09383
   63    61 S   HC   _H14    75     1.09778   108.15714  -179.58222
   64    53 S   OH   _O36    89     1.42628   108.85296   133.77971
   65    64 S   HO   _H33    90     0.97277   107.49383   -56.43140
   66    58 S   CT   _C20    55     1.52959   111.31765   179.98022
   67    66 S   HC   _H27    56     1.09684   109.55827    58.55776
   68    66 S   HC   _H28    57     1.09681   109.56084   -58.73132
   69    61 S   CT   _C7_    76     1.53442   114.54427   -58.89805
   70    69 S   HC   _H11    77     1.09626   110.07399   -54.31782
   71    69 S   HC   _H12    78     1.09619   109.88863    63.69722
   72    66 S   CT   _C21    58     1.52960   111.32081   179.89913
   73    72 S   HC   _H29    59     1.09703   109.53985   -58.45058
   74    72 S   HC   _H30    60     1.09703   109.54464    58.48901
   75    69 S   CT   _C6_    79     1.53037   111.05781  -175.54807
   76    75 S   HC   _H9_    80     1.09572   109.55073   -56.20730
   77    75 S   HC   _H10    81     1.09679   109.53825    60.98378
   78    72 S   CT   _C22    61     1.52536   111.41135  -179.98022
   79    78 S   HC   _H31    62     1.09714   109.44883    58.64894
   80    78 S   HC   _H32    63     1.09714   109.44600   -58.66205
   81    75 S   CT   _C5_    82     1.52811   111.37337  -177.56273
   82    81 S   HC   _H7_    83     1.09618   109.87595   -58.12264
   83    81 S   HC   _H8_    84     1.09629   109.82856    59.61364
   84    78 S   CO3  _C23    64     1.53211   115.24180   180.00000
   85    84 S   O2Z  _O34    65     1.26527   114.02049   179.89532
   86    84 S   O2Z  _O33    66     1.26133   116.68013    -0.11535
   87    81 S   CT   _C4_    85     1.52029   111.51346  -179.27153
   88    87 S   HC   _H4_    86     1.09433   111.05801   -60.24490
   89    87 S   HC   _H5_    87     1.09466   110.99803    60.28112
   90    87 S   HC   _H6_    88     1.09447   110.25160  -180.00000
  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
  18   2   1   1  18  13   4  11   5  11   5   4  10   4   5   4
   3   9   5   4  10   6   2   1   1   9   5   4  11   6   5   2
   1   9   5   4   9   5   4   8   5   4   9   5   4   5   4   3
   6   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    55    56    57    42    38    39    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    48    49    55    56    57    42    43    44    50    38    39    45    46    53  
   35    36  
   36  
    0  
   40    41    47    48    49    55    56    57    42    43    44    50    51    52    58    38    39    45  
   39    45    46    53    54    61    64    40    42    47    55    56    57  
   45    46    53    55  
   41    47    48    49    55    56    57    42    43    44    50  
   47    48    49    55    42  
   43    44    50    51    52    58    59    60    66    47    55  
   44    50    51    52    58  
   50    51    52    58  
   46    53    54    61    62    63    69    64    65    55  
   53    54    61    64  
   48    49    55    56    57  
   49    55    56    57  
   55    56    57  
   51    52    58    59    60    66    67    68    72  
   52    58    59    60    66  
   58    59    60    66  
   54    61    62    63    69    70    71    75    64    65  
   61    62    63    69    64    65  
   56    57  
   57  
    0  
   59    60    66    67    68    72    73    74    78  
   60    66    67    68    72  
   66    67    68    72  
   62    63    69    70    71    75    76    77    81    64    65  
   63    69    70    71    75    64  
   69    70    71    75    64  
   65    69  
    0  
   67    68    72    73    74    78    79    80    84  
   68    72    73    74    78  
   72    73    74    78  
   70    71    75    76    77    81    82    83    87  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80    84    85    86  
   74    78    79    80    84  
   78    79    80    84  
   76    77    81    82    83    87    88    89    90  
   77    81    82    83    87  
   81    82    83    87  
   79    80    84    85    86  
   80    84    85    86  
   84    85    86  
   82    83    87    88    89    90  
   83    87    88    89    90  
   87    88    89    90  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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   0.167500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    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   317.000  1.510
   33    55   268.000  1.529
   33    38   317.000  1.510
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
   38    39   340.000  1.080
   38    45   549.000  1.340
   45    46   340.000  1.080
   45    53   317.000  1.510
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   64    65   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    75.00000  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    45    70.00000  124.00000
   37    40    41    65.00000  137.10300
   37    40    47    65.00000  122.18000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    50    70.00000  112.02700
   40    47    48    45.00000  110.52000
   40    47    49    45.00000  110.52000
   40    47    55    70.00000  112.02700
   47    40    41    85.00000  112.85300
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   49    47    48    33.00000  107.80000
   55    33    37    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   57    55    56    33.00000  107.80000
   42    37    40    70.00000  124.00000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    58    58.35000  112.70000
   44    42    43    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    44    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    66    58.35000  112.70000
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    84    70.00000  109.69300
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    84    85    70.00000  117.00000
   78    84    86    70.00000  117.00000
   80    78    79    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    80    35.00000  109.50000
   86    84    85    80.00000  126.00000
   38    33    37    70.00000  110.12100
   38    33    55    70.00000  112.02700
   38    45    46    35.00000  120.00000
   38    45    53    70.00000  124.00000
   45    38    39    35.00000  120.00000
   45    53    54    35.00000  109.50000
   45    53    61    70.00000  112.02700
   45    53    64    90.00000  110.39200
   53    45    46    35.00000  117.00000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    69    58.35000  112.70000
   53    64    65    55.00000  108.50000
   61    53    54    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    75    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    87    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   83    81    82    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   64    53    54    35.00000  109.50000
   64    53    61    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    47   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    50   0.46850  1.0 1.0
   33    37    42    50   0.08550 -1.0 2.0
   33    37    42    50   0.09800  1.0 3.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    53   7.00000 -1.0 2.0
   37    33   -55    47   0.34400  1.0 1.0
   37    33   -55    47   0.09450 -1.0 2.0
   37    33   -55    47   0.11100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    45  -0.28300  1.0 1.0
   37    33    38    45   0.26700 -1.0 2.0
   37    33    38    45  -0.63300  1.0 3.0
   37    40    47    48   0.00000  1.0 1.0
   37    40    47    49   0.00000  1.0 1.0
   37    40   -47    55   0.09850  1.0 1.0
   37    40   -47    55   0.15250 -1.0 2.0
   37    40   -47    55  -0.50650  1.0 3.0
   37    42    50    51   0.15000  1.0 3.0
   37    42    50    52   0.15000  1.0 3.0
   37    42    50    58   0.34400  1.0 1.0
   37    42    50    58   0.09450 -1.0 2.0
   37    42    50    58   0.11100  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    50   0.09850  1.0 1.0
   40    37    42    50   0.15250 -1.0 2.0
   40    37    42    50  -0.50650  1.0 3.0
   40    47   -55    33   0.34400  1.0 1.0
   40    47   -55    33   0.09450 -1.0 2.0
   40    47   -55    33   0.11100  1.0 3.0
   40    47    55    56   0.15000  1.0 3.0
   40    47    55    57   0.15000  1.0 3.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    49   0.00000  1.0 1.0
   41    40    47    55   0.09700  1.0 1.0
   41    40    47    55   0.15600 -1.0 2.0
   41    40    47    55  -0.50800  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   49    47    55    33   0.15000  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   55    33   -37    40   0.09850  1.0 1.0
   55    33   -37    40   0.15250 -1.0 2.0
   55    33   -37    40  -0.50650  1.0 3.0
   55    33    37    42   0.46850  1.0 1.0
   55    33    37    42   0.08550 -1.0 2.0
   55    33    37    42   0.09800  1.0 3.0
   55    33    38    39   0.00000  1.0 1.0
   55    33    38    45   0.09850  1.0 1.0
   55    33    38    45   0.15250 -1.0 2.0
   55    33    38    45  -0.50650  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    47   7.00000 -1.0 2.0
   42    50    58    59   0.15000  1.0 3.0
   42    50    58    60   0.15000  1.0 3.0
   42    50    58    66   0.56750  1.0 1.0
   42    50    58    66  -0.07550 -1.0 2.0
   42    50    58    66   0.20000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    58   0.15000  1.0 3.0
   44    42    50    51   0.15000  1.0 3.0
   44    42    50    52   0.15000  1.0 3.0
   44    42    50    58   0.15000  1.0 3.0
   50    58    66    67   0.15000  1.0 3.0
   50    58    66    68   0.15000  1.0 3.0
   50    58    66    72   0.56750  1.0 1.0
   50    58    66    72  -0.07550 -1.0 2.0
   50    58    66    72   0.20000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    66   0.15000  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    60   0.15000  1.0 3.0
   52    50    58    66   0.15000  1.0 3.0
   58    66    72    73   0.15000  1.0 3.0
   58    66    72    74   0.15000  1.0 3.0
   58    66    72    78   0.56750  1.0 1.0
   58    66    72    78  -0.07550 -1.0 2.0
   58    66    72    78   0.20000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    72   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    72   0.15000  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    84  -1.63150  1.0 1.0
   66    72    78    84  -0.43550 -1.0 2.0
   66    72    78    84   0.24500  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    78   0.15000  1.0 3.0
   72    78    84    85   0.41150 -1.0 2.0
   72    78    84    86   0.41150 -1.0 2.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    84  -0.11250  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    84  -0.11250  1.0 3.0
   79    78    84    85   0.00000  1.0 1.0
   79    78    84    86   0.00000  1.0 1.0
   80    78    84    85   0.00000  1.0 1.0
   80    78    84    86   0.00000  1.0 1.0
   38    33    37    40  -0.28300  1.0 1.0
   38    33    37    40   0.26700 -1.0 2.0
   38    33    37    40  -0.63300  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    55    47   0.34400  1.0 1.0
   38    33    55    47   0.09450 -1.0 2.0
   38    33    55    47   0.11100  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    45    53    54   0.00000  1.0 1.0
   38    45    53    61   0.09850  1.0 1.0
   38    45    53    61   0.15250 -1.0 2.0
   38    45    53    61  -0.50650  1.0 3.0
   38    45    53    64   0.67800  1.0 1.0
   38    45    53    64   0.47050 -1.0 2.0
   38    45    53    64  -0.62500  1.0 3.0
   39    38    45    46   7.00000 -1.0 2.0
   39    38    45    53   7.00000 -1.0 2.0
   45    53    61    62   0.15000  1.0 3.0
   45    53    61    63   0.15000  1.0 3.0
   45    53    61    69   0.34400  1.0 1.0
   45    53    61    69   0.09450 -1.0 2.0
   45    53    61    69   0.11100  1.0 3.0
   45    53    64    65  -0.07800  1.0 1.0
   45    53    64    65  -0.21500 -1.0 2.0
   45    53    64    65  -0.03150  1.0 3.0
   46    45    53    54   0.33100  1.0 3.0
   46    45    53    61   0.00000  1.0 1.0
   46    45    53    64   0.00000  1.0 1.0
   53    61    69    70   0.15000  1.0 3.0
   53    61    69    71   0.15000  1.0 3.0
   53    61    69    75   0.56750  1.0 1.0
   53    61    69    75  -0.07550 -1.0 2.0
   53    61    69    75   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    69   0.15000  1.0 3.0
   54    53    64    65   0.19450  1.0 3.0
   61    53    64    65  -0.11600  1.0 1.0
   61    53    64    65  -0.09450 -1.0 2.0
   61    53    64    65   0.21250  1.0 3.0
   61    69    75    76   0.15000  1.0 3.0
   61    69    75    77   0.15000  1.0 3.0
   61    69    75    81   0.56750  1.0 1.0
   61    69    75    81  -0.07550 -1.0 2.0
   61    69    75    81   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    75   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    75   0.15000  1.0 3.0
   69    75    81    82   0.15000  1.0 3.0
   69    75    81    83   0.15000  1.0 3.0
   69    75    81    87   0.56750  1.0 1.0
   69    75    81    87  -0.07550 -1.0 2.0
   69    75    81    87   0.20000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    81   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81   0.15000  1.0 3.0
   75    81    87    88   0.15000  1.0 3.0
   75    81    87    89   0.15000  1.0 3.0
   75    81    87    90   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    87   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    87   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.15000  1.0 3.0
   64    53    61    62   0.23400  1.0 3.0
   64    53    61    63   0.23400  1.0 3.0
   64    53    61    69   0.86500  1.0 1.0
   64    53    61    69  -0.17500 -1.0 2.0
   64    53    61    69   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   47    41    40    37   1.10000 -1.0 2.0
   85    78    84    86  10.50000 -1.0 2.0
   33    39    38    45  15.00000 -1.0 2.0
   53    46    45    38  15.00000 -1.0 2.0
END
