* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    160    246     479
    1     0 S   NP   _N1_     1    28.67000    96.13794   -20.87951
    2     1 S   H    _HN1     2     1.02776    86.38431   -96.70167
    3     1 S   H    _H1_     3     1.02964    81.98253    12.40882
    4     1 S   H    _H2_     4     1.02838    40.81029   140.30530
    5     1 S   CT   _CA1     5     1.50088   151.28815   130.76585
    6     5 S   HC   _HA1     6     1.09551   105.33516    65.87286
    7     5 S   CO3  _C1_     7     1.53814   112.48927   -54.69798
    8     7 S   O2Z  _O11     8     1.26342   115.07950   -39.50275
    9     7 S   O2Z  _O12     9     1.26276   115.09980   140.04604
   10     5 S   CT   _CB1    10     1.53109   107.49915  -175.75241
   11    10 S   HC   HB11    11     1.09819   109.78626   -47.54371
   12    10 S   HC   HB12    12     1.09826   110.16328    69.11816
   13    10 S   CT   _CG1    13     1.52992   112.57041  -168.51316
   14    13 S   HC   HG11    14     1.09554   110.53578   -58.02861
   15    13 S   HC   HG12    15     1.09628   110.02985    61.24423
   16    13 S   C    _CD1    16     1.51712   112.33156  -177.92906
   17    16 S   O    _OE1    17     1.22701   123.32464    -2.38999
   18    16 S   N    _N2_    18     1.38611   111.51807   177.01554
   19    18 S   H    _HN2    19     1.01564   119.07408     4.10413
   20    18 S   CT1  _CA2    20     1.46170   123.33971  -175.26071
   21    20 S   HC   _HA2    21     1.09726   109.48337    -4.15553
   22    20 S   C    _C2_    22     1.53356   108.67392  -120.18141
   23    22 S   O    _O2_    23     1.23029   122.14136  -144.63676
   24    20 S   CT   _CB2    32     1.53578   111.06765   117.54077
   25    24 S   HC   HB21    33     1.09313   109.16478    59.15223
   26    24 S   HC   HB22    34     1.09451   109.85104   177.71227
   27    22 S   N    _N3_    24     1.38471   113.47222    42.61136
   28    27 S   H    _HN3    25     1.01511   118.98111    -0.33455
   29    24 S   S    _SG2    35     1.82985   111.19780   -62.48718
   30    27 S   CT   _CA3    26     1.45455   123.41624   175.26625
   31    30 S   HC   HA31    27     1.09524   109.24143    24.59985
   32    30 S   HC   HA32    28     1.09497   107.12594   141.58737
   33    29 S   CT   _C11    36     1.87899   102.31500   166.58691
   34    30 S   CO3  _C3_    29     1.52918   113.07905   -98.88810
   35    34 S   O2Z  _O31    30     1.26405   115.37544   -45.74001
   36    34 S   O2Z  _O32    31     1.26352   115.00542   135.19267
   37    33 S   CT   _C8_    37     1.56873   110.97898    56.60621
   38    37 S   HC   _H4_    38     1.09905   107.19594   -64.72496
   39    33 S   CT   _C12    56     1.54410   103.70571   177.60886
   40    39 S   HC   _H19    57     1.09718   111.96410    58.74082
   41    39 S   HC   _H20    58     1.09406   111.66289   177.66569
   42    39 S   HC   _H21    59     1.09545   112.31353   -61.92385
   43    33 S   CT   _C13    60     1.55479   108.66927   -66.06782
   44    43 S   HC   _H22    61     1.09524   111.14734    70.01225
   45    43 S   HC   _H23    62     1.09377   110.09738  -171.64179
   46    37 S   CO4  _C9_    39     1.53759   115.34904   179.89913
   47    46 S   O    _O33    40     1.22804   124.28295    -3.50565
   48    43 S   OS1  _O34    63     1.43220   111.39884   -52.20447
   49    46 S   CT   _C10    41     1.51504   115.41672   174.32335
   50    49 S   HC   _H17    42     1.09586   108.88951   177.99601
   51    49 S   HC   _H18    43     1.09597   108.14606   -65.24295
   52    48 S   CO1  _C14    64     1.43000   112.46441  -177.70731
   53    52 S   HC   _H5_    65     1.09689   108.95325   -50.13280
   54    49 S   CT   _C5_    44     1.52755   109.88312    57.02352
   55    54 S   HC   _H3_    45     1.09848   108.50074    64.82158
   56    52 S   CT   _C15    66     1.53380   109.39424  -168.59787
   57    56 S   HC   _H6_    67     1.09579   111.08491    51.84680
   58    54 S   CT   _C6_    46     1.53354   110.66117   -53.58025
   59    58 S   HC   _H13    47     1.09751   110.21324   -65.94714
   60    58 S   HC   _H14    48     1.09670   109.75236   176.62449
   61    54 S   CT   _C4_    52     1.52680   110.65884  -176.74996
   62    61 S   HC   _H10    53     1.09532   111.34469    61.54157
   63    61 S   HC   _H11    54     1.09509   110.75375   -58.66806
   64    61 S   HC   _H12    55     1.09507   110.76787  -178.24844
   65    56 S   CT   _C16    68     1.53130   110.77849   -69.86457
   66    65 S   HC   _H7_    69     1.09697   110.00221    69.67852
   67    56 S   OH5  _O39    84     1.43044   108.98683   170.03352
   68    67 S   HO   _H29    85     0.97219   107.65145   -63.20686
   69    37 S   CT   _C7_    49     1.54480   115.05438    55.66711
   70    69 S   HC   _H15    50     1.09664   110.28942    64.14784
   71    69 S   HC   _H16    51     1.09394   111.34559   -54.67607
   72    65 S   CT   _C17    70     1.53194   110.95183   -51.74243
   73    72 S   HC   _H8_    71     1.09679   109.33299   -70.59097
   74    65 S   OH5  _O38    82     1.42711   110.53552  -172.72446
   75    74 S   HO   _H28    83     0.97561   107.89974   -52.51073
   76    72 S   CT   _C18    72     1.53393   110.57664    51.14703
   77    76 S   HC   _H9_    73     1.09798   110.60438    66.24866
   78    72 S   OH5  _O37    80     1.42806   109.80455   172.46782
   79    78 S   HO   _H27    81     0.97244   108.04849   -54.75642
   80    52 S   OS1  _O35    74     1.43359   113.17401    68.23793
   81    76 S   CT   _C19    75     1.53037   111.32665  -173.84244
   82    81 S   HC   _H24    76     1.09502   110.96643    70.12169
   83    81 S   HC   _H25    77     1.09399   111.57355   -52.23898
   84    81 S   OH5  _O36    78     1.42513   109.10279  -171.22052
   85    84 S   HO   _H26    79     0.97224   107.04301  -178.57070
  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
  18   2   1   1  21   9   9   3   2   1   9   3   2  11   5   8
  12   5   4  13   6  11   8  12   7   9   5   4   4   2   1   1
  13   7   4   1   2   1   1  12   7   3   1   9   6   3   1   4
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    69    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    49    58    69    70    71    39    40    41    42    43    44    45    48    52  
   35    36  
   36  
    0  
   38    46    47    49    50    51    54    58    59    60    69    70    71    39    40    41    42    43    44    45    48  
   46    47    49    58    69    70    71    39    43  
   40    41    42    43    44    45    48    46    69  
   41    42    43  
   42    43  
   43  
   44    45    48    52    53    56    80    46    69  
   45    48    52  
   48    52  
   47    49    50    51    54    55    58    69    70    71    61  
   49    50    51    54    69  
   52    53    56    57    65    76    80    67  
   50    51    54    55    58    59    60    69    61    62    63    64  
   51    54    55    58    61  
   54    55    58    61  
   53    56    57    65    66    72    76    77    80    81    74    67    68  
   56    57    65    76    80    67  
   55    58    59    60    69    70    71    61    62    63    64  
   58    59    60    69    61    62    63    64  
   57    65    66    72    73    76    80    78    74    75    67    68  
   65    66    72    80    74    67    68  
   59    60    69    70    71    61    62    63    64  
   60    69    70    71    61  
   69    70    71    61  
   62    63    64    69  
   63    64  
   64  
    0  
   66    72    73    76    77    80    81    78    79    74    75    67    68  
   72    73    76    78    74    75    67  
   68    72    74    80  
    0  
   70    71  
   71  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   317.000  1.522
   37    69   268.000  1.529
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   335.000  1.422
   48    52   370.000  1.399
   52    53   360.000  1.097
   52    56   255.000  1.525
   52    80   370.000  1.399
   56    57   340.000  1.090
   56    65   268.000  1.529
   56    67   355.000  1.421
   65    66   340.000  1.090
   65    72   268.000  1.529
   65    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   67    68   580.000  0.967
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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    63.00000  111.10000
   33    37    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    95.00000  107.88500
   37    46    47    80.00000  120.40000
   37    46    49    70.00000  116.00000
   37    69    58    58.35000  112.70000
   37    69    70    37.50000  110.70000
   37    69    71    37.50000  110.70000
   46    37    38    35.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    54    63.00000  111.10000
   49    46    47    80.00000  120.40000
   49    54    55    37.50000  110.70000
   49    54    58    58.35000  112.70000
   49    54    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    69    58.35000  112.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   58    54    55    37.50000  110.70000
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   60    58    59    33.00000  107.80000
   69    37    38    37.50000  110.70000
   69    37    46    63.00000  111.10000
   69    58    59    37.50000  110.70000
   69    58    60    37.50000  110.70000
   71    69    70    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    48    52    90.00000  112.10700
   45    43    44    33.00000  107.80000
   48    43    44    55.00000  108.98800
   48    43    45    55.00000  108.98800
   48    52    53    60.00000  105.75400
   48    52    56    90.00000  109.70700
   48    52    80   110.00000  113.16000
   52    56    57    45.00000  109.54000
   52    56    65    70.00000  111.10000
   52    56    67    90.00000  109.42000
   52    80    76    90.00000  112.10700
   56    52    53    45.00000  111.65000
   56    65    66    37.50000  110.70000
   56    65    72    58.35000  112.70000
   56    65    74    90.00000  111.45300
   56    67    68    65.00000  108.53500
   65    56    57    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    76    58.35000  112.70000
   65    72    78    90.00000  111.45300
   65    74    75    65.00000  108.53500
   72    65    66    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    52    53    60.00000  105.75400
   80    52    56    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    65    66    60.00000  109.39000
   74    65    72    90.00000  111.45300
   67    56    57    60.00000  109.39000
   67    56    65    90.00000  111.45300
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    37    69   0.44750  1.0 1.0
   29    33    37    69  -0.17800 -1.0 2.0
   29    33    37    69   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    49   0.60050  1.0 1.0
   33    37    46    49   0.05600 -1.0 2.0
   33    37    46    49   0.26150  1.0 3.0
   33    37    69    58   0.56750  1.0 1.0
   33    37    69    58  -0.07550 -1.0 2.0
   33    37    69    58   0.20000  1.0 3.0
   33    37    69    70   0.15000  1.0 3.0
   33    37    69    71   0.15000  1.0 3.0
   33    43    48    52   0.06250  1.0 1.0
   33    43    48    52  -0.01100 -1.0 2.0
   33    43    48    52   0.28050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48   0.62750  1.0 1.0
   37    33    43    48  -0.30950 -1.0 2.0
   37    33    43    48   0.27300  1.0 3.0
   37    46    49    50   0.00000  1.0 1.0
   37    46    49    51   0.00000  1.0 1.0
   37    46    49    54   0.60050  1.0 1.0
   37    46    49    54   0.05600 -1.0 2.0
   37    46    49    54   0.26150  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    49   0.00000  1.0 1.0
   38    37    69    58   0.15000  1.0 3.0
   38    37    69    70   0.15000  1.0 3.0
   38    37    69    71   0.15000  1.0 3.0
   46    37    69    58  -0.95700  1.0 1.0
   46    37    69    58  -0.18200 -1.0 2.0
   46    37    69    58   0.29450  1.0 3.0
   46    37    69    70  -0.11250  1.0 3.0
   46    37    69    71  -0.11250  1.0 3.0
   46    49    54    55  -0.11250  1.0 3.0
   46    49   -54    58  -0.95700  1.0 1.0
   46    49   -54    58  -0.18200 -1.0 2.0
   46    49   -54    58   0.29450  1.0 3.0
   46    49    54    61  -0.95700  1.0 1.0
   46    49    54    61  -0.18200 -1.0 2.0
   46    49    54    61   0.29450  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    54   0.30150 -1.0 2.0
   49    54    58    59   0.15000  1.0 3.0
   49    54    58    60   0.15000  1.0 3.0
   49    54    58    69   0.56750  1.0 1.0
   49    54    58    69  -0.07550 -1.0 2.0
   49    54    58    69   0.20000  1.0 3.0
   49    54    61    62   0.15000  1.0 3.0
   49    54    61    63   0.15000  1.0 3.0
   49    54    61    64   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    58   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    58   0.15000  1.0 3.0
   51    49    54    61   0.15000  1.0 3.0
   54    58   -69    37   0.56750  1.0 1.0
   54    58   -69    37  -0.07550 -1.0 2.0
   54    58   -69    37   0.20000  1.0 3.0
   54    58    69    70   0.15000  1.0 3.0
   54    58    69    71   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    69   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   58    54    61    62   0.15000  1.0 3.0
   58    54    61    63   0.15000  1.0 3.0
   58    54    61    64   0.15000  1.0 3.0
   59    58    69    37   0.15000  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   60    58    69    37   0.15000  1.0 3.0
   60    58    69    70   0.15000  1.0 3.0
   60    58    69    71   0.15000  1.0 3.0
   69    37    46    47   0.30150 -1.0 2.0
   69    37   -46    49   0.60050  1.0 1.0
   69    37   -46    49   0.05600 -1.0 2.0
   69    37   -46    49   0.26150  1.0 3.0
   61    54    58    59   0.15000  1.0 3.0
   61    54    58    60   0.15000  1.0 3.0
   61    54    58    69   0.56750  1.0 1.0
   61    54    58    69  -0.07550 -1.0 2.0
   61    54    58    69   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    37    69   0.56750  1.0 1.0
   39    33    37    69  -0.07550 -1.0 2.0
   39    33    37    69   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48   0.62750  1.0 1.0
   39    33    43    48  -0.30950 -1.0 2.0
   39    33    43    48   0.27300  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46  -0.95700  1.0 1.0
   43    33    37    46  -0.18200 -1.0 2.0
   43    33    37    46   0.29450  1.0 3.0
   43    33    37    69   0.56750  1.0 1.0
   43    33    37    69  -0.07550 -1.0 2.0
   43    33    37    69   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   0.37050  1.0 3.0
   43    48    52    56   0.06250  1.0 1.0
   43    48    52    56  -0.01100 -1.0 2.0
   43    48    52    56   0.28050  1.0 3.0
   43    48    52    80  -0.12700  1.0 1.0
   43    48    52    80  -1.16200 -1.0 2.0
   43    48    52    80   0.58800  1.0 3.0
   44    43    48    52   0.37050  1.0 3.0
   45    43    48    52   0.37050  1.0 3.0
   48    52    56    57   0.23400  1.0 3.0
   48    52    56    65   0.62750  1.0 1.0
   48    52    56    65  -0.30950 -1.0 2.0
   48    52    56    65   0.27300  1.0 3.0
   48    52    56    67   1.51850  1.0 1.0
   48    52    80    76  -0.70400  1.0 1.0
   48    52    80    76  -0.90350 -1.0 2.0
   52    56    65    66   0.15000  1.0 3.0
   52    56    65    72   0.56750  1.0 1.0
   52    56    65    72  -0.07550 -1.0 2.0
   52    56    65    72   0.20000  1.0 3.0
   52    56    65    74  -0.47750  1.0 1.0
   52    56    67    68   0.29150  1.0 1.0
   52    56    67    68  -0.28350 -1.0 2.0
   52    56    67    68   0.43600  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    65   0.15000  1.0 3.0
   53    52    56    67   0.23400  1.0 3.0
   53    52    80    76   0.37050  1.0 3.0
   56    52    80    76   0.06250  1.0 1.0
   56    52    80    76  -0.01100 -1.0 2.0
   56    52    80    76   0.28050  1.0 3.0
   56    65    72    73   0.15000  1.0 3.0
   56    65   -72    76   0.56750  1.0 1.0
   56    65   -72    76  -0.07550 -1.0 2.0
   56    65   -72    76   0.20000  1.0 3.0
   56    65    72    78  -0.47750  1.0 1.0
   56    65    74    75   0.29150  1.0 1.0
   56    65    74    75  -0.28350 -1.0 2.0
   56    65    74    75   0.43600  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    72   0.15000  1.0 3.0
   57    56    65    74   0.23400  1.0 3.0
   57    56    67    68   0.19450  1.0 3.0
   65    56    67    68   0.29150  1.0 1.0
   65    56    67    68  -0.28350 -1.0 2.0
   65    56    67    68   0.43600  1.0 3.0
   65    72    76    77   0.15000  1.0 3.0
   65    72    76    80   0.62750  1.0 1.0
   65    72    76    80  -0.30950 -1.0 2.0
   65    72    76    80   0.27300  1.0 3.0
   65    72    76    81   0.56750  1.0 1.0
   65    72    76    81  -0.07550 -1.0 2.0
   65    72    76    81   0.20000  1.0 3.0
   65    72    78    79   0.29150  1.0 1.0
   65    72    78    79  -0.28350 -1.0 2.0
   65    72    78    79   0.43600  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    76   0.15000  1.0 3.0
   66    65    72    78   0.23400  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   72    65    74    75   0.29150  1.0 1.0
   72    65    74    75  -0.28350 -1.0 2.0
   72    65    74    75   0.43600  1.0 3.0
   72    76   -80    52   0.06250  1.0 1.0
   72    76   -80    52  -0.01100 -1.0 2.0
   72    76   -80    52   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    52   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    52    56    57   0.23400  1.0 3.0
   80    52   -56    65   0.62750  1.0 1.0
   80    52   -56    65  -0.30950 -1.0 2.0
   80    52   -56    65   0.27300  1.0 3.0
   80    52    56    67   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    52   0.06250  1.0 1.0
   81    76    80    52  -0.01100 -1.0 2.0
   81    76    80    52   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    65    72    73   0.23400  1.0 3.0
   74    65    72    76  -0.47750  1.0 1.0
   74    65    72    78   3.77950  1.0 1.0
   67    56    65    66   0.23400  1.0 3.0
   67    56    65    72  -0.47750  1.0 1.0
   67    56    65    74   3.77950  1.0 1.0
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
   37    49    46    47  10.50000 -1.0 2.0
END
