* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    245     465
    1     0 S   NP   _N1_     1    30.74646    95.86774   -14.62302
    2     1 S   H    _HN1     2     1.02943    65.67294   127.36357
    3     1 S   H    _H1_     3     1.02764    50.04483   -17.30734
    4     1 S   H    _H2_     4     1.03047   145.36273    42.97960
    5     1 S   CT   _CA1     5     1.50449   102.57594  -126.00175
    6     5 S   HC   _HA1     6     1.09687   104.84644    -7.58338
    7     5 S   CO3  _C1_     7     1.54549   110.69968  -123.84932
    8     7 S   O2Z  _O11     8     1.26156   116.66793  -111.69456
    9     7 S   O2Z  _O12     9     1.26530   113.82754    66.84665
   10     5 S   CT   _CB1    10     1.53102   107.17199   108.32526
   11    10 S   HC   HB11    11     1.09842   110.03320   -47.75869
   12    10 S   HC   HB12    12     1.09452   109.84318    67.80594
   13    10 S   CT   _CG1    13     1.53129   112.57874  -168.01607
   14    13 S   HC   HG11    14     1.09551   112.03230   -37.91222
   15    13 S   HC   HG12    15     1.09613   110.11316    80.44232
   16    13 S   C    _CD1    16     1.51557   111.30182  -158.91023
   17    16 S   O    _OE1    17     1.22792   121.94611  -102.96456
   18    16 S   N    _N2_    18     1.38372   112.55366    76.84262
   19    18 S   H    _HN2    19     1.01689   118.66926     2.73817
   20    18 S   CT1  _CA2    20     1.45845   123.54834   176.83838
   21    20 S   HC   _HA2    21     1.09712   109.07044    21.08500
   22    20 S   C    _C2_    22     1.52900   106.99139   -96.02461
   23    22 S   O    _O2_    23     1.22946   122.97233   -27.09000
   24    20 S   CT   _CB2    32     1.53397   111.97679   144.67086
   25    24 S   HC   HB21    33     1.09382   109.81558    52.16935
   26    24 S   HC   HB22    34     1.09523   110.46189   170.37063
   27    22 S   N    _N3_    24     1.38645   112.35476   156.03817
   28    27 S   H    _HN3    25     1.01493   119.71128     0.49099
   29    24 S   S    _SG2    35     1.82927   110.76429   -70.89018
   30    27 S   CT   _CA3    26     1.45430   122.73637   174.64138
   31    30 S   HC   HA31    27     1.09545   108.84306    32.36464
   32    30 S   HC   HA32    28     1.09476   107.17780   149.50958
   33    29 S   CT   _C20    36     1.89805   102.27939   145.15558
   34    30 S   CO3  _C3_    29     1.53107   113.78953   -90.46864
   35    34 S   O2Z  _O31    30     1.26365   115.97898   -26.94419
   36    34 S   O2Z  _O32    31     1.26437   114.57709   153.90972
   37    33 S   CT   _C14    37     1.57378   105.49808    64.24340
   38    37 S   HC   _H35    38     1.10020   107.18250    60.16823
   39    37 S   HC   _H36    39     1.09763   108.74290   -53.88976
   40    33 S   CT   _C19    61     1.57998   110.88962   -60.01215
   41    40 S   HC   _H41    62     1.09462   107.03215    92.01225
   42    33 S   CT   _C23    82     1.54292   101.81961   179.55413
   43    42 S   HC   _H48    83     1.09662   111.61084    63.96318
   44    42 S   HC   _H49    84     1.09751   111.82280   -56.68259
   45    42 S   HC   _H50    85     1.09224   112.63388  -175.51795
   46    37 S   CT   _C15    40     1.54331   122.83014  -177.24778
   47    46 S   HC   _H37    41     1.09702   108.20140  -175.15103
   48    40 S   OH   _O26    63     1.42906   111.13970   -22.98074
   49    48 S   HO   _H51    64     0.97507   108.82867   166.50847
   50    46 S   CM   _C4_    42     1.47585   115.09685    62.71669
   51    50 S   HC   _H29    43     1.08124   123.94087    51.80763
   52    50 S   CM   _C5_    44     1.33043   110.99151  -121.38181
   53    52 S   CO4  _C7_    45     1.46993   106.49046    -5.87633
   54    53 S   O    _O21    46     1.21820   125.60327  -175.74366
   55    52 S   CT   _C13    48     1.48253   128.41365   167.90278
   56    55 S   HC   _H33    49     1.09886   109.52801    21.37762
   57    55 S   HC   _H34    50     1.09721   109.38973   135.44206
   58    46 S   OS   _O24    47     1.42843   112.89034   -56.57730
   59    55 S   CT   _C18    51     1.55528   114.91921  -100.95835
   60    59 S   HC   _H40    52     1.09851   110.24022   -69.51261
   61    59 S   CT   _C16    53     1.56207   114.01580    53.53369
   62    61 S   HC   _H38    54     1.09709   108.42937    47.16181
   63    59 S   OS   _O27    68     1.45191   105.94115   172.06484
   64    61 S   CM   _C6_    55     1.49463   114.20518   169.59903
   65    63 S   CO4  _C12    69     1.36047   117.51299    86.70582
   66    65 S   O    _O23    70     1.21884   126.75373    -0.27411
   67    64 S   CO4  _C8_    56     1.47201   110.52147   106.99249
   68    67 S   O    _O22    57     1.21802   127.23843  -175.90218
   69    64 S   CM   _C9_    65     1.33651   128.18827   -77.44158
   70    69 S   HC   _H30    66     1.08482   120.91217     1.74417
   71    69 S   HC   _H31    67     1.08521   121.90671  -177.40316
   72    65 S   CM   _C10    71     1.48205   107.12489   179.00929
   73    72 S   HC   _H32    72     1.08774   115.07757   -20.36870
   74    67 S   OS   _O25    58     1.35787   107.18280     4.86353
   75    72 S   CM   _C11    73     1.34554   125.53062   160.75373
   76    61 S   CT   _C17    59     1.54054   112.20163   -76.85291
   77    76 S   HC   _H39    60     1.08224   109.82660     7.45375
   78    75 S   CT   _C21    74     1.50722   119.79420   177.42663
   79    78 S   HC   _H42    75     1.09498   110.32060   118.36663
   80    78 S   HC   _H43    76     1.09520   112.44865    -1.80211
   81    78 S   HC   _H44    77     1.09505   110.16419  -121.79517
   82    75 S   CT   _C22    78     1.50339   126.18791    -3.27967
   83    82 S   HC   _H45    79     1.09453   110.14708   105.20071
   84    82 S   HC   _H46    80     1.09164   113.53131   -16.83658
   85    82 S   HC   _H47    81     1.09583   110.12135  -135.58473
  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  13   5   4   3
  19   2   1   1  17   7   6  16   7   6   2   1   1   8   5   5
   1   9   4  10   6   2  11   5   4   1  13   6  12   7   7   8
   6   3   7   3   4   1   1  10   3   2   8   1   1   7   3   2
   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    76    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    58    61    74    76    77    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    53    58    76    40    41    48    42    43    44    45  
   39    46    47    50    58    40    42  
   46    47    50    58    40    42  
   41    48    49    42    43    44    45    46    59    61    62    64    67    74    76    77  
   48    49    42    61    74    76    77  
   43    44    45    46    48    76  
   44    45  
   45  
    0  
   47    50    51    52    53    54    58    55  
   50    51    52    53    58  
   49    61    74    76    77  
   76  
   51    52    53    54    58    55    56    57    59  
   52    53    58    55  
   53    54    58    55    56    57    59    60    61    63  
   54    58    55    56    57    59  
   58    55  
   56    57    59    60    61    62    64    76    63    65    58  
   57    59    60    61    63  
   59    60    61    63  
    0  
   60    61    62    64    67    74    76    77    69    63    65    66    72  
   61    62    64    76    63    65  
   62    64    67    68    74    76    77    69    70    71    63    65  
   64    67    74    76    77    69    63  
   65    66    72    73    75    64    76  
   67    68    74    76    77    69    70    71  
   66    72    73    75    78    82  
   72    73    75  
   68    74    76    77    69    70    71  
   74    76    69  
   70    71    74    76  
   71  
    0  
   73    75    78    79    80    81    82    83    84    85  
   75    78    82  
   76    77  
   78    79    80    81    82    83    84    85  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    58   320.000  1.410
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    55   317.000  1.510
   53    54   570.000  1.229
   53    58   214.000  1.327
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    64   317.000  1.510
   61    76   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    74   214.000  1.327
   74    76   320.000  1.410
   76    77   340.000  1.090
   76    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    72   320.000  1.462
   72    73   340.000  1.080
   72    75   549.000  1.340
   75    78   317.000  1.510
   75    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    76    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    70.00000  112.02700
   37    46    58    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    52    70.00000  124.00000
   46    58    53    83.00000  116.90000
   50    46    47    35.00000  109.50000
   50    52    53    65.00000  118.96000
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    58    90.00000  111.29400
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.02700
   58    46    47    35.00000  109.50000
   58    46    50    85.00000  110.90400
   58    53    54    83.00000  123.40000
   55    52    53    65.00000  116.34900
   55    59    60    37.50000  110.70000
   55    59    61    58.35000  112.70000
   55    59    63    50.00000  109.50000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    64    70.00000  112.02700
   59    61    76    58.35000  112.70000
   59    63    65    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    64    67    65.00000  116.34900
   61    64    69    70.00000  124.00000
   61    76    74    50.00000  109.50000
   61    76    77    37.50000  110.70000
   61    76    40    58.35000  112.70000
   64    61    62    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    74    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   67    74    76    83.00000  116.90000
   74    67    68    83.00000  123.40000
   74    76    77    35.00000  109.50000
   74    76    40    50.00000  109.50000
   76    61    62    37.50000  110.70000
   76    61    64    70.00000  112.02700
   76    40    41    37.50000  110.70000
   76    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    76    77    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    72    90.00000  111.29400
   65    72    73    40.00000  117.72500
   65    72    75    65.00000  118.96000
   72    65    66    80.00000  123.72100
   72    75    78    70.00000  124.00000
   72    75    82    70.00000  124.00000
   75    72    73    35.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   75    82    83    35.00000  109.50000
   75    82    84    35.00000  109.50000
   75    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    76   0.44750  1.0 1.0
   29    33    40    76  -0.17800 -1.0 2.0
   29    33    40    76   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.34400  1.0 1.0
   33    37    46    50   0.09450 -1.0 2.0
   33    37    46    50   0.11100  1.0 3.0
   33    37    46    58   0.62750  1.0 1.0
   33    37    46    58  -0.30950 -1.0 2.0
   33    37    46    58   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    76   0.56750  1.0 1.0
   37    33    40    76  -0.07550 -1.0 2.0
   37    33    40    76   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.00000  1.0 1.0
   37    46    50    52   0.09850  1.0 1.0
   37    46    50    52   0.15250 -1.0 2.0
   37    46    50    52  -0.50650  1.0 3.0
   37    46    58    53  -0.25900  1.0 1.0
   37    46    58    53  -0.47000 -1.0 2.0
   37    46    58    53   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    58   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    58   0.23400  1.0 3.0
   46    50   -52    53   7.00000 -1.0 2.0
   46    50    52    55   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    58    53   0.08050  1.0 3.0
   50    46   -58    53  -0.82050  1.0 1.0
   50    46   -58    53   0.00600 -1.0 2.0
   50    46   -58    53   0.04400  1.0 3.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52   -53    58  -0.56150  1.0 1.0
   50    52   -53    58   2.19150 -1.0 2.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    59   0.09850  1.0 1.0
   50    52    55    59   0.15250 -1.0 2.0
   50    52    55    59  -0.50650  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53   -58    46   2.00000 -1.0 2.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.34400  1.0 1.0
   52    55    59    61   0.09450 -1.0 2.0
   52    55    59    61   0.11100  1.0 3.0
   52    55    59    63   0.61850  1.0 1.0
   52    55    59    63  -0.22750 -1.0 2.0
   52    55    59    63   0.15300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.09700  1.0 1.0
   53    52    55    59   0.15600 -1.0 2.0
   53    52    55    59  -0.50800  1.0 3.0
   54    53    58    46   3.00000 -1.0 2.0
   58    46    50    51   0.00000  1.0 1.0
   58    46   -50    52   0.39000  1.0 1.0
   58    46   -50    52  -0.05800 -1.0 2.0
   58    46   -50    52  -0.55150  1.0 3.0
   55    52    53    54  -0.64400  1.0 1.0
   55    52    53    54   0.26850 -1.0 2.0
   55    52    53    58  -0.15000  1.0 1.0
   55    52    53    58   0.89550 -1.0 2.0
   55    52    53    58  -0.06900  1.0 3.0
   55    59    61    62   0.15000  1.0 3.0
   55    59    61    64   0.34400  1.0 1.0
   55    59    61    64   0.09450 -1.0 2.0
   55    59    61    64   0.11100  1.0 3.0
   55    59    61    76   0.56750  1.0 1.0
   55    59    61    76  -0.07550 -1.0 2.0
   55    59    61    76   0.20000  1.0 3.0
   55    59    63    65  -0.25900  1.0 1.0
   55    59    63    65  -0.47000 -1.0 2.0
   55    59    63    65   0.11750  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.23400  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.23400  1.0 3.0
   59    61    64    67   0.09700  1.0 1.0
   59    61    64    67   0.15600 -1.0 2.0
   59    61    64    67  -0.50800  1.0 3.0
   59    61    64    69   0.09850  1.0 1.0
   59    61    64    69   0.15250 -1.0 2.0
   59    61    64    69  -0.50650  1.0 3.0
   59    61    76    74   0.62750  1.0 1.0
   59    61    76    74  -0.30950 -1.0 2.0
   59    61    76    74   0.27300  1.0 3.0
   59    61    76    77   0.15000  1.0 3.0
   59    61    76    40   0.56750  1.0 1.0
   59    61    76    40  -0.07550 -1.0 2.0
   59    61    76    40   0.20000  1.0 3.0
   59    63    65    66   3.00000 -1.0 2.0
   59    63    65    72   2.00000 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    76   0.15000  1.0 3.0
   60    59    63    65   0.08050  1.0 3.0
   61    59    63    65  -0.25900  1.0 1.0
   61    59    63    65  -0.47000 -1.0 2.0
   61    59    63    65   0.11750  1.0 3.0
   61    64    67    68  -0.64400  1.0 1.0
   61    64    67    68   0.26850 -1.0 2.0
   61    64   -67    74  -0.15000  1.0 1.0
   61    64   -67    74   0.89550 -1.0 2.0
   61    64   -67    74  -0.06900  1.0 3.0
   61    64    69    70   7.00000 -1.0 2.0
   61    64    69    71   7.00000 -1.0 2.0
   61    76    40    33   0.56750  1.0 1.0
   61    76    40    33  -0.07550 -1.0 2.0
   61    76    40    33   0.20000  1.0 3.0
   61    76    40    41   0.15000  1.0 3.0
   61    76    40    48   0.86500  1.0 1.0
   61    76    40    48  -0.17500 -1.0 2.0
   61    76    40    48   0.20800  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    69   0.00000  1.0 1.0
   62    61    76    74   0.23400  1.0 3.0
   62    61    76    77   0.15000  1.0 3.0
   62    61    76    40   0.15000  1.0 3.0
   64    61   -76    74   0.61850  1.0 1.0
   64    61   -76    74  -0.22750 -1.0 2.0
   64    61   -76    74   0.15300  1.0 3.0
   64    61    76    77   0.15000  1.0 3.0
   64    61    76    40   0.34400  1.0 1.0
   64    61    76    40   0.09450 -1.0 2.0
   64    61    76    40   0.11100  1.0 3.0
   64    67   -74    76   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   67    74   -76    61  -0.25900  1.0 1.0
   67    74   -76    61  -0.47000 -1.0 2.0
   67    74   -76    61   0.11750  1.0 3.0
   67    74    76    77   0.08050  1.0 3.0
   67    74    76    40  -0.25900  1.0 1.0
   67    74    76    40  -0.47000 -1.0 2.0
   67    74    76    40   0.11750  1.0 3.0
   68    67    74    76   3.00000 -1.0 2.0
   74    76    40    33   0.62750  1.0 1.0
   74    76    40    33  -0.30950 -1.0 2.0
   74    76    40    33   0.27300  1.0 3.0
   74    76    40    41   0.23400  1.0 3.0
   74    76    40    48   3.69350  1.0 1.0
   74    76    40    48  -1.82950 -1.0 2.0
   76    61   -64    67   0.09700  1.0 1.0
   76    61   -64    67   0.15600 -1.0 2.0
   76    61   -64    67  -0.50800  1.0 3.0
   76    61    64    69   0.09850  1.0 1.0
   76    61    64    69   0.15250 -1.0 2.0
   76    61    64    69  -0.50650  1.0 3.0
   76    40    48    49  -0.11600  1.0 1.0
   76    40    48    49  -0.09450 -1.0 2.0
   76    40    48    49   0.21250  1.0 3.0
   77    76    40    33   0.15000  1.0 3.0
   77    76    40    41   0.15000  1.0 3.0
   77    76    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    74  -0.56150  1.0 1.0
   69    64    67    74   2.19150 -1.0 2.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    64   0.61850  1.0 1.0
   63    59    61    64  -0.22750 -1.0 2.0
   63    59    61    64   0.15300  1.0 3.0
   63    59    61    76   0.62750  1.0 1.0
   63    59    61    76  -0.30950 -1.0 2.0
   63    59    61    76   0.27300  1.0 3.0
   63    65    72    73   1.63100 -1.0 2.0
   63    65    72    75  -0.56150  1.0 1.0
   63    65    72    75   2.19150 -1.0 2.0
   65    72    75    78   7.00000 -1.0 2.0
   65    72    75    82   7.00000 -1.0 2.0
   66    65    72    73   0.00000  1.0 1.0
   66    65    72    75   1.00000 -1.0 2.0
   72    75    78    79   0.00000  1.0 1.0
   72    75    78    80   0.00000  1.0 1.0
   72    75    78    81   0.00000  1.0 1.0
   72    75    82    83   0.00000  1.0 1.0
   72    75    82    84   0.00000  1.0 1.0
   72    75    82    85   0.00000  1.0 1.0
   73    72    75    78   7.00000 -1.0 2.0
   73    72    75    82   7.00000 -1.0 2.0
   78    75    82    83   0.34800  1.0 3.0
   78    75    82    84   0.34800  1.0 3.0
   78    75    82    85   0.34800  1.0 3.0
   82    75    78    79   0.34800  1.0 3.0
   82    75    78    80   0.34800  1.0 3.0
   82    75    78    81   0.34800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    76   0.56750  1.0 1.0
   42    33    40    76  -0.07550 -1.0 2.0
   42    33    40    76   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   46    51    50    52   1.10000 -1.0 2.0
   53    55    52    50   1.10000 -1.0 2.0
   52    58    53    54  10.50000 -1.0 2.0
   61    67    64    69   1.10000 -1.0 2.0
   64    74    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   63    72    65    66  10.50000 -1.0 2.0
   65    73    72    75  15.00000 -1.0 2.0
   78    82    75    72  15.00000 -1.0 2.0
END
