* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    252     485
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   106.59634   -12.81210
    3     1 S   H    _H1_     3     1.02100    55.15516    88.71673
    4     1 S   H    _H2_     4     1.02147    56.95070  -114.61544
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C19    36     1.89732    95.70698   161.87310
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C13    37     1.57189   101.47069   159.99259
   38    37 S   HC   _H37    38     1.10245   108.02852   -39.54683
   39    37 S   HC   _H38    39     1.08891   109.38864  -146.71787
   40    33 S   CT   _C16    59     1.58325   105.63666    45.54017
   41    40 S   HC   _H41    60     1.10193   107.79982    40.01563
   42    33 S   CO   _C18    67     1.57663   102.13644   -72.47129
   43    42 S   HC   _H43    68     1.09800   107.52541    31.81635
   44    37 S   CT   _C17    40     1.54783   122.97018    87.64036
   45    44 S   HC   _H42    41     1.08839   114.09324   -16.37366
   46    40 S   OH   _O24    61     1.43026   110.29130   -75.06811
   47    46 S   HO   _H51    62     0.96758   106.28747   168.05212
   48    42 S   OH   _O25    69     1.41793   114.36038   -83.93051
   49    48 S   HO   _H52    70     0.97188   107.02355   179.95154
   50    44 S   CT   _C15    42     1.55148   112.75641   112.44436
   51    50 S   HC   _H40    43     1.10137   107.76887    61.05274
   52    44 S   OS   _O26    74     1.44079   106.06967  -131.99273
   53    50 S   CM   _C6_    44     1.49883   119.25511  -179.35502
   54    52 S   CO4  _C9_    75     1.36188   115.16057    91.29733
   55    54 S   O    _O21    76     1.22374   126.13257     0.09279
   56    53 S   CO4  _C7_    45     1.48499   107.29187   158.05202
   57    56 S   O    _O20    46     1.21704   127.32567   164.35341
   58    53 S   CM   _C8_    71     1.33473   131.69043   -19.03893
   59    58 S   HC   _H29    72     1.08364   120.75873    -3.25221
   60    58 S   HC   _H30    73     1.08410   120.68329   176.78070
   61    54 S   CT   _C22    77     1.51924   109.05160  -179.46222
   62    61 S   HC   _H50    78     1.09698   107.86233   -30.50596
   63    56 S   OS   _O22    47     1.36951   106.60194   -14.37855
   64    61 S   CT   _C20    79     1.52395   109.73699    89.10986
   65    64 S   HC   _H44    80     1.09442   110.93847    61.53981
   66    64 S   HC   _H45    81     1.09549   111.21889   -58.94013
   67    64 S   HC   _H46    82     1.09502   110.96679  -178.46265
   68    61 S   CT   _C21    83     1.52632   110.74057  -147.99131
   69    68 S   HC   _H47    84     1.09491   110.77311   -62.29749
   70    68 S   HC   _H48    85     1.09587   110.78552   177.89123
   71    68 S   HC   _H49    86     1.09581   111.52388    58.09975
   72    50 S   CT   _C14    48     1.53254   116.75231   -63.13834
   73    72 S   HC   _H39    49     1.09397   109.97845   -52.72317
   74    72 S   CM   _C4_    50     1.50124   112.76959    73.45113
   75    74 S   HC   _H28    51     1.08923   115.54570    53.19509
   76    74 S   CM   _C5_    52     1.34772   125.02833  -114.07169
   77    76 S   CT   _C10    53     1.50909   121.12371   159.53048
   78    77 S   HC   _H31    54     1.09769   109.21082    49.35843
   79    77 S   HC   _H32    55     1.09712   110.27825   164.52181
   80    76 S   CT   _C11    63     1.49683   124.37554   -14.68085
   81    80 S   HC   _H33    64     1.09736   107.97854  -123.83583
   82    80 S   HC   _H34    65     1.09212   115.60651    -7.02035
   83    77 S   CT   _C12    56     1.54164   113.96472   -72.31683
   84    83 S   HC   _H35    57     1.09578   108.99659    72.73836
   85    83 S   HC   _H36    58     1.09949   105.79210  -175.21783
   86    80 S   OS   _O23    66     1.41501   110.81856   119.52687
  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
  21   2   1   1  18   7   6  15   7  11   4  14   6   5   1   3
   1  15   8   8   9  11   4   8   3   4   1   1   9   8   5   7
   3   2   1   3   2   1   1   6   3  10   3  10   9   5   4   4
   2   1   2   1   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    44    83    40    41    46    86    42    43    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    77    83    84    85    40    41    46    47    80    86    42    43    48    49    52  
   35    36  
   36  
    0  
   38    39    44    45    50    51    53    72    83    40    41    46    86    42    43    48    52    54  
   39    44    45    50    40    42    52  
   44    45    50    40    42    52  
   41    46    47    86    42    43    48    44    76    77    78    79    83    84    85  
   46    47    42    77    83    84    85  
   43    48    49    44    46    76    80    81    82    83    86  
   48    49    80    86  
   45    50    51    53    56    63    72    73    74    58    52    54    55    61  
   50    51    53    72    52    54  
   47    77    83    84    85  
   83  
   49    80    86  
   86  
   51    53    56    57    63    72    73    74    75    76    58    59    60    52    54  
   53    56    63    72    73    74    58    52  
   54    55    61    62    64    68    53    72  
   56    57    63    72    73    74    58    59    60  
   55    61    62    64    65    66    67    68    69    70    71  
   61    62    64    68  
   57    63    72    73    74    58    59    60  
   63    72    58  
   59    60    63    72  
   60  
    0  
   62    64    65    66    67    68    69    70    71  
   64    65    66    67    68    69    70    71  
   72    73    74    75    76  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    80  
   74    75    76  
   75    76    77    78    79    83    80    81    82    86  
   76    77    80  
   77    78    79    83    84    85    80    81    82    86  
   78    79    83    84    85    80    81    82    86  
   79    83    84    85    80  
   83    84    85    80  
   81    82    86    83  
   82    86  
   86  
   84    85  
   85  
    0  
    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   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
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   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    72   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    63   214.000  1.327
   63    72   320.000  1.410
   72    73   340.000  1.090
   72    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    80   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    40   268.000  1.529
   40    41   340.000  1.090
   40    46   320.000  1.410
   46    47   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   320.000  1.410
   86    42   320.000  1.380
   42    43   340.000  1.090
   42    48   380.000  1.407
   48    49   553.000  0.945
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   317.000  1.522
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    44    58.35000  112.70000
   33    40    83    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    50.00000  109.50000
   33    42    86    90.00000  108.56700
   33    42    43    45.00000  112.01100
   33    42    48    90.00000  110.19100
   37    44    45    37.50000  110.70000
   37    44    50    58.35000  112.70000
   37    44    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    53    70.00000  112.02700
   44    50    72    58.35000  112.70000
   44    52    54    83.00000  116.90000
   50    44    45    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    72    63    50.00000  109.50000
   50    72    73    37.50000  110.70000
   50    72    74    70.00000  112.02700
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    63    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    63    72    83.00000  116.90000
   63    56    57    83.00000  123.40000
   63    72    73    35.00000  109.50000
   63    72    74    85.00000  110.90400
   72    50    51    37.50000  110.70000
   72    50    53    70.00000  112.02700
   72    74    75    35.00000  117.00000
   72    74    76    70.00000  124.00000
   74    72    73    35.00000  109.50000
   74    76    77    70.00000  124.00000
   74    76    80    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    83    70.00000  112.02700
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    86    85.00000  110.90400
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    40    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    40    41    37.50000  110.70000
   83    40    46    50.00000  109.50000
   85    83    84    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    83    84    37.50000  110.70000
   40    83    85    37.50000  110.70000
   40    46    47    55.00000  108.50000
   46    40    41    35.00000  109.50000
   80    76    77    65.00000  117.92700
   80    86    42    60.00000  109.50000
   82    80    81    33.00000  107.80000
   86    80    81    35.00000  109.50000
   86    80    82    35.00000  109.50000
   86    42    43    35.00000  109.50000
   86    42    48   110.00000  112.08000
   42    33    37    75.00000  109.43000
   42    33    40    75.00000  109.43000
   42    48    49    70.00000  107.92000
   48    42    43    60.00000  108.02500
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    44    45    35.00000  109.50000
   52    44    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    81.00000  111.40000
   54    61    62    35.00000  109.50000
   54    61    64    63.00000  111.10000
   54    61    68    63.00000  111.10000
   61    54    55    80.00000  120.40000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   64    61    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    40    83   0.44750  1.0 1.0
   29    33    40    83  -0.17800 -1.0 2.0
   29    33    40    83   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    86   0.56750  1.0 1.0
   29    33    42    86  -0.07550 -1.0 2.0
   29    33    42    86   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    50   0.56750  1.0 1.0
   33    37    44    50  -0.07550 -1.0 2.0
   33    37    44    50   0.20000  1.0 3.0
   33    37    44    52   0.62750  1.0 1.0
   33    37    44    52  -0.30950 -1.0 2.0
   33    37    44    52   0.27300  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   33    42    48    49  -0.11600  1.0 1.0
   33    42    48    49  -0.09450 -1.0 2.0
   33    42    48    49   0.21250  1.0 3.0
   37    33    40    83   0.56750  1.0 1.0
   37    33    40    83  -0.07550 -1.0 2.0
   37    33    40    83   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46   0.86500  1.0 1.0
   37    33    40    46  -0.17500 -1.0 2.0
   37    33    40    46   0.20800  1.0 3.0
   37    33    42    86   0.62750  1.0 1.0
   37    33    42    86  -0.30950 -1.0 2.0
   37    33    42    86   0.27300  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    48   0.86500  1.0 1.0
   37    33    42    48  -0.17500 -1.0 2.0
   37    33    42    48   0.20800  1.0 3.0
   37    44    50    51   0.15000  1.0 3.0
   37    44    50    53   0.34400  1.0 1.0
   37    44    50    53   0.09450 -1.0 2.0
   37    44    50    53   0.11100  1.0 3.0
   37    44    50    72   0.56750  1.0 1.0
   37    44    50    72  -0.07550 -1.0 2.0
   37    44    50    72   0.20000  1.0 3.0
   37    44    52    54  -0.25900  1.0 1.0
   37    44    52    54  -0.47000 -1.0 2.0
   37    44    52    54   0.11750  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    50   0.15000  1.0 3.0
   38    37    44    52   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    50   0.15000  1.0 3.0
   39    37    44    52   0.23400  1.0 3.0
   44    50    53    56   0.09700  1.0 1.0
   44    50    53    56   0.15600 -1.0 2.0
   44    50    53    56  -0.50800  1.0 3.0
   44    50    53    58   0.09850  1.0 1.0
   44    50    53    58   0.15250 -1.0 2.0
   44    50    53    58  -0.50650  1.0 3.0
   44    50    72    63   0.62750  1.0 1.0
   44    50    72    63  -0.30950 -1.0 2.0
   44    50    72    63   0.27300  1.0 3.0
   44    50    72    73   0.15000  1.0 3.0
   44    50    72    74   0.34400  1.0 1.0
   44    50    72    74   0.09450 -1.0 2.0
   44    50    72    74   0.11100  1.0 3.0
   44    52    54    55   3.00000 -1.0 2.0
   44    52    54    61   1.63150  1.0 1.0
   44    52    54    61   2.92000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   45    44    50    72   0.15000  1.0 3.0
   45    44    52    54   0.08050  1.0 3.0
   50    44    52    54  -0.25900  1.0 1.0
   50    44    52    54  -0.47000 -1.0 2.0
   50    44    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    63  -0.15000  1.0 1.0
   50    53   -56    63   0.89550 -1.0 2.0
   50    53   -56    63  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    72    74    75   0.00000  1.0 1.0
   50    72    74    76   0.09850  1.0 1.0
   50    72    74    76   0.15250 -1.0 2.0
   50    72    74    76  -0.50650  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    72    63   0.23400  1.0 3.0
   51    50    72    73   0.15000  1.0 3.0
   51    50    72    74   0.15000  1.0 3.0
   53    50   -72    63   0.61850  1.0 1.0
   53    50   -72    63  -0.22750 -1.0 2.0
   53    50   -72    63   0.15300  1.0 3.0
   53    50    72    73   0.15000  1.0 3.0
   53    50    72    74   0.31000  1.0 1.0
   53    50    72    74   0.14700 -1.0 2.0
   53    50    72    74   0.07550  1.0 3.0
   53    56   -63    72   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    63   -72    50  -0.25900  1.0 1.0
   56    63   -72    50  -0.47000 -1.0 2.0
   56    63   -72    50   0.11750  1.0 3.0
   56    63    72    73   0.08050  1.0 3.0
   56    63    72    74  -0.82050  1.0 1.0
   56    63    72    74   0.00600 -1.0 2.0
   56    63    72    74   0.04400  1.0 3.0
   57    56    63    72   3.00000 -1.0 2.0
   63    72    74    75   0.00000  1.0 1.0
   63    72    74    76   0.39000  1.0 1.0
   63    72    74    76  -0.05800 -1.0 2.0
   63    72    74    76  -0.55150  1.0 3.0
   72    50   -53    56   0.09700  1.0 1.0
   72    50   -53    56   0.15600 -1.0 2.0
   72    50   -53    56  -0.50800  1.0 3.0
   72    50    53    58   0.09850  1.0 1.0
   72    50    53    58   0.15250 -1.0 2.0
   72    50    53    58  -0.50650  1.0 3.0
   72    74    76    77   7.00000 -1.0 2.0
   72    74    76    80   7.00000 -1.0 2.0
   73    72    74    75   0.33100  1.0 3.0
   73    72    74    76   0.00000  1.0 1.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    83   0.09850  1.0 1.0
   74    76    77    83   0.15250 -1.0 2.0
   74    76    77    83  -0.50650  1.0 3.0
   74    76    80    81   0.00000  1.0 1.0
   74    76    80    82   0.00000  1.0 1.0
   74    76    80    86   0.39000  1.0 1.0
   74    76    80    86  -0.05800 -1.0 2.0
   74    76    80    86  -0.55150  1.0 3.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    80   7.00000 -1.0 2.0
   76    77    83    84   0.15000  1.0 3.0
   76    77    83    85   0.15000  1.0 3.0
   76    77    83    40   0.34400  1.0 1.0
   76    77    83    40   0.09450 -1.0 2.0
   76    77    83    40   0.11100  1.0 3.0
   76    80    86    42  -0.77900  1.0 1.0
   76    80    86    42  -0.36900 -1.0 2.0
   76    80    86    42   0.40400  1.0 3.0
   77    76    80    81   0.34800  1.0 3.0
   77    76    80    82   0.34800  1.0 3.0
   77    76    80    86   0.09700  1.0 1.0
   77    76    80    86   0.15600 -1.0 2.0
   77    76    80    86  -0.50800  1.0 3.0
   77    83    40    33   0.56750  1.0 1.0
   77    83    40    33  -0.07550 -1.0 2.0
   77    83    40    33   0.20000  1.0 3.0
   77    83    40    41   0.15000  1.0 3.0
   77    83    40    46   0.86500  1.0 1.0
   77    83    40    46  -0.17500 -1.0 2.0
   77    83    40    46   0.20800  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    40   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    40   0.15000  1.0 3.0
   83    40    46    47  -0.11600  1.0 1.0
   83    40    46    47  -0.09450 -1.0 2.0
   83    40    46    47   0.21250  1.0 3.0
   84    83    40    33   0.15000  1.0 3.0
   84    83    40    41   0.15000  1.0 3.0
   84    83    40    46   0.23400  1.0 3.0
   85    83    40    33   0.15000  1.0 3.0
   85    83    40    41   0.15000  1.0 3.0
   85    83    40    46   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    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    42    86   0.62750  1.0 1.0
   40    33    42    86  -0.30950 -1.0 2.0
   40    33    42    86   0.27300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    48   0.86500  1.0 1.0
   40    33    42    48  -0.17500 -1.0 2.0
   40    33    42    48   0.20800  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   80    76    77    78   0.34800  1.0 3.0
   80    76    77    79   0.34800  1.0 3.0
   80    76    77    83   0.46850  1.0 1.0
   80    76    77    83   0.08550 -1.0 2.0
   80    76    77    83   0.09800  1.0 3.0
   80    86    42    33   0.06250  1.0 1.0
   80    86    42    33  -0.01100 -1.0 2.0
   80    86    42    33   0.28050  1.0 3.0
   80    86    42    43   0.37050  1.0 3.0
   80    86    42    48  -0.70900  1.0 1.0
   80    86    42    48  -1.18000 -1.0 2.0
   80    86    42    48   0.91650  1.0 3.0
   81    80    86    42   0.37050  1.0 3.0
   82    80    86    42   0.37050  1.0 3.0
   86    42    48    49  -0.50000  1.0 1.0
   86    42    48    49  -0.73950 -1.0 2.0
   86    42    48    49   0.17150  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    44   3.97050  1.0 1.0
   42    33    40    83   3.97050  1.0 1.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46   0.86500  1.0 1.0
   42    33    40    46  -0.17500 -1.0 2.0
   42    33    40    46   0.20800  1.0 3.0
   43    42    48    49   0.19450  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    63  -0.56150  1.0 1.0
   58    53    56    63   2.19150 -1.0 2.0
   52    44    50    51   0.23400  1.0 3.0
   52    44    50    53   0.61850  1.0 1.0
   52    44    50    53  -0.22750 -1.0 2.0
   52    44    50    53   0.15300  1.0 3.0
   52    44    50    72   0.62750  1.0 1.0
   52    44    50    72  -0.30950 -1.0 2.0
   52    44    50    72   0.27300  1.0 3.0
   52    54    61    62   0.00000  1.0 1.0
   52    54    61    64   0.36750  1.0 3.0
   52    54    61    68   0.36750  1.0 3.0
   54    61    64    65  -0.11250  1.0 3.0
   54    61    64    66  -0.11250  1.0 3.0
   54    61    64    67  -0.11250  1.0 3.0
   54    61    68    69  -0.11250  1.0 3.0
   54    61    68    70  -0.11250  1.0 3.0
   54    61    68    71  -0.11250  1.0 3.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    64   0.30150 -1.0 2.0
   55    54    61    68   0.30150 -1.0 2.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   64    61    68    69   0.15000  1.0 3.0
   64    61    68    70   0.15000  1.0 3.0
   64    61    68    71   0.15000  1.0 3.0
   68    61    64    65   0.15000  1.0 3.0
   68    61    64    66   0.15000  1.0 3.0
   68    61    64    67   0.15000  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
   50    56    53    58   1.10000 -1.0 2.0
   53    63    56    57  10.50000 -1.0 2.0
   72    75    74    76   1.10000 -1.0 2.0
   77    80    76    74   1.10000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
END
