* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    244     455
    1     0 S   NP   _N1_     1    28.74408    97.18783   -24.16895
    2     1 S   H    _HN1     2     1.02778   113.77708  -111.83780
    3     1 S   H    _H1_     3     1.02957    75.49806    -7.88615
    4     1 S   H    _H2_     4     1.02836    32.01639   162.25735
    5     1 S   CT   _CA1     5     1.50134   128.42093    96.83658
    6     5 S   HC   _HA1     6     1.09576   105.21000    90.24578
    7     5 S   CO3  _C1_     7     1.53781   112.33583   -29.93196
    8     7 S   O2Z  _O11     8     1.26367   114.99692   -44.34793
    9     7 S   O2Z  _O12     9     1.26235   114.92898   134.69298
   10     5 S   CT   _CB1    10     1.53094   107.41533  -151.86373
   11    10 S   HC   HB11    11     1.09829   109.31439   -50.49955
   12    10 S   HC   HB12    12     1.09816   110.43658    66.04920
   13    10 S   CT   _CG1    13     1.53023   112.67997  -171.56287
   14    13 S   HC   HG11    14     1.09593   110.50366   -64.74671
   15    13 S   HC   HG12    15     1.09659   109.90520    54.45438
   16    13 S   C    _CD1    16     1.51848   112.28826   174.81730
   17    16 S   O    _OE1    17     1.22762   123.27432     1.27932
   18    16 S   N    _N2_    18     1.38530   111.73313  -178.67175
   19    18 S   H    _HN2    19     1.01562   119.16019     3.81608
   20    18 S   CT1  _CA2    20     1.45815   122.88854   178.01949
   21    20 S   HC   _HA2    21     1.09723   108.92797    25.86567
   22    20 S   C    _C2_    22     1.53172   107.16153   -91.12076
   23    22 S   O    _O2_    23     1.23005   123.11658   -21.44299
   24    20 S   CT   _CB2    32     1.53221   112.29221   149.00124
   25    24 S   HC   HB21    33     1.09525   109.68520    57.62204
   26    24 S   HC   HB22    34     1.09339   109.22181   176.03780
   27    22 S   N    _N3_    24     1.38567   112.70170   160.91029
   28    27 S   H    _HN3    25     1.01657   120.36506    -1.79570
   29    24 S   S    _SG2    35     1.83121   111.71112   -63.32150
   30    27 S   CT   _CA3    26     1.45377   122.36383   178.57179
   31    30 S   HC   HA31    27     1.09455   107.87460   -52.87385
   32    30 S   HC   HA32    28     1.09563   107.45575    63.32642
   33    29 S   CT   _C16    36     1.84528   101.13568  -172.91886
   34    33 S   OM   _O36    37     1.31694   109.72160  -177.62101
   35    30 S   CO3  _C3_    29     1.52849   114.52231  -174.92634
   36    35 S   O2Z  _O31    30     1.26326   116.09968     2.16211
   37    35 S   O2Z  _O32    31     1.26465   114.43859  -177.62950
   38    33 S   CM   _C17    38     1.50107   110.02018   -59.01519
   39    38 S   HC   _H14    39     1.09256   117.02704   -65.89743
   40    38 S   CMA  _C18    40     1.34969   125.33749   113.57117
   41    40 S   OM   _O35    41     1.26106   129.27662   179.74744
   42    40 S   CM   _C13    42     1.47178   117.61132    -0.18238
   43    42 S   CM   _C14    43     1.34997   124.25919     8.82581
   44    42 S   CO4  _C12    69     1.50004   121.96256  -167.64688
   45    44 S   O    _O33    70     1.22532   122.49806  -101.27713
   46    33 S   CO4  _C15    44     1.53524   108.27092    65.86464
   47    46 S   O    _O34    45     1.23506   122.72283    62.11667
   48    43 S   OS1  _O37    46     1.38485   123.20604  -178.49247
   49    44 S   CM   _C11    71     1.48944   113.53497    80.34221
   50    49 S   HC   _H13    72     1.08537   117.79575    -8.03128
   51    48 S   CO1  _C19    47     1.43986   111.52588   -93.65491
   52    51 S   HC   _H3_    48     1.09912   109.77331    40.24953
   53    49 S   CM   _C10    73     1.33948   120.12516   170.07998
   54    53 S   HC   _H12    74     1.08641   121.31184    -0.89875
   55    51 S   CT   _C20    49     1.53574   106.99785   159.27788
   56    55 S   HC   _H4_    50     1.09685   109.94886    54.41717
   57    53 S   CA   _C9_    75     1.46819   122.39205  -178.32836
   58    55 S   CT   _C21    51     1.53027   110.94409   176.02931
   59    58 S   HC   _H5_    52     1.09668   110.18402    73.22247
   60    55 S   OH5  _O42    67     1.42883   110.71351   -62.64019
   61    60 S   HO   _H20    68     0.97368   108.41304   -44.68368
   62    57 S   CA   _C4_    76     1.40300   121.87083   -46.96312
   63    62 S   HA   _H8_    77     1.08762   120.79368     0.40154
   64    58 S   CT   _C22    53     1.53219   111.29410   -49.56625
   65    64 S   HC   _H6_    54     1.09708   109.02532   -71.61145
   66    58 S   OH5  _O41    65     1.42997   109.73344  -170.83635
   67    66 S   HO   _H19    66     0.97240   108.08395    58.91896
   68    62 S   CA   _C5_    78     1.39616   120.46270  -179.58035
   69    68 S   HA   _H9_    79     1.08614   119.84271  -179.51141
   70    64 S   CT   _C23    55     1.53234   110.82307    49.66707
   71    70 S   HC   _H7_    56     1.09834   110.90116    64.70225
   72    64 S   OH5  _O40    63     1.42634   109.63978   171.61386
   73    72 S   HO   _H18    64     0.97259   108.11975   -58.39051
   74    68 S   CA   _C6_    80     1.39117   119.62879     0.17017
   75    51 S   OS1  _O38    57     1.42936   111.40076   -81.15278
   76    70 S   CT   _C24    58     1.52984   111.53572  -174.48466
   77    76 S   HC   _H15    59     1.09509   110.96796    71.05645
   78    76 S   HC   _H16    60     1.09386   111.66193   -51.39840
   79    74 S   CA   _C7_    81     1.39243   120.73851     0.58684
   80    79 S   HA   _H10    82     1.08596   121.00161  -179.94766
   81    74 S   OH   _O43    85     1.36618   118.21830  -179.43007
   82    81 S   HO   _H21    86     0.97248   108.39941   176.50587
   83    76 S   OH5  _O39    61     1.42458   109.00146  -170.23618
   84    83 S   HO   _H17    62     0.97213   107.16730  -174.45256
   85    57 S   CA   _C8_    83     1.40179   119.03213   134.62673
   86    85 S   HA   _H11    84     1.08787   120.55355    -1.17103
  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   8   5   4   3
  10   6   2   1   1   8   4   8   3  10  10   8   3   3   1   8
   6   3  13   6   8   3  12   7   9  13   7   4   1   8   4  12
   7   3   1   7   3   9   6   3   1   6   4   4   3   2   5   3
   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48  
   38    39    40    43    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    44  
   40    41    42    46  
   41    42    43    46    48    44    45    49  
   42    43    44  
   43    46    47    48    51    44    45    49    50    53  
   46    47    48    51    52    55    75    44    45    49  
   45    49    50    53    54    57    46    48  
   49    50    53  
   47    48    51  
   48  
   51    52    55    56    58    70    75    60  
   50    53    54    57    62    85  
   53    54    57  
   52    55    56    58    59    64    70    71    75    76    66    60    61  
   55    56    58    70    75    60  
   54    57    62    63    68    79    85    86  
   57    62    85  
   56    58    59    64    65    70    75    72    66    67    60    61  
   58    59    64    75    66    60    61  
   62    63    68    69    74    79    80    85    86  
   59    64    65    70    71    75    76    72    73    66    67    60    61  
   64    65    70    72    66    67    60  
   61    64    66    75  
    0  
   63    68    69    74    79    85    86    81  
   68    69    74    85  
   65    70    71    75    76    77    78    83    72    73    66    67  
   70    71    75    76    72    73    66  
   67    70    72  
    0  
   69    74    79    80    85    81    82  
   74    79    81  
   71    75    76    77    78    83    84    72    73  
   75    76    77    78    83    72  
   73    75    76  
    0  
   79    80    85    86    81    82  
   76    77    78    83  
   77    78    83    84  
   78    83    84  
   83    84  
   80    85    86    81    82  
   85    86    81  
   82    85  
    0  
   84  
    0  
   86  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    46   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    44   320.000  1.462
   43    46   320.000  1.462
   43    48   440.000  1.360
   46    47   570.000  1.229
   48    51   370.000  1.399
   51    52   360.000  1.097
   51    55   255.000  1.525
   51    75   370.000  1.399
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    60   355.000  1.421
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    66   355.000  1.421
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    72   355.000  1.421
   70    71   340.000  1.090
   70    75   335.000  1.422
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   355.000  1.421
   83    84   580.000  0.967
   72    73   580.000  0.967
   66    67   580.000  0.967
   60    61   580.000  0.967
   44    45   570.000  1.229
   44    49   320.000  1.462
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   340.000  1.080
   53    57   320.000  1.460
   57    62   469.000  1.400
   57    85   469.000  1.400
   62    63   367.000  1.080
   62    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    79   469.000  1.400
   74    81   450.000  1.364
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   81    82   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    43    65.00000  118.62400
   33    46    47    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    44    60.00000  125.92000
   42    40    41    65.00000  137.10300
   42    43    46    65.00000  118.96000
   42    43    48    80.00000  120.01400
   42    44    45    80.00000  123.72100
   42    44    49    65.00000  118.65900
   43    46    47    80.00000  123.72100
   43    48    51    90.00000  111.18400
   46    33    34    90.00000  108.74100
   46    33    38    70.00000  109.06800
   48    43    46    85.00000  116.28000
   48    51    52    60.00000  105.75400
   48    51    55    90.00000  109.70700
   48    51    75   110.00000  113.16000
   51    55    56    45.00000  109.54000
   51    55    58    70.00000  111.10000
   51    55    60    90.00000  109.42000
   51    75    70    90.00000  112.10700
   55    51    52    45.00000  111.65000
   55    58    59    37.50000  110.70000
   55    58    64    58.35000  112.70000
   55    58    66    90.00000  111.45300
   55    60    61    65.00000  108.53500
   58    55    56    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    70    58.35000  112.70000
   58    64    72    90.00000  111.45300
   58    66    67    65.00000  108.53500
   64    58    59    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    75    95.00000  107.88500
   64    70    76    58.35000  112.70000
   64    72    73    65.00000  108.53500
   70    64    65    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    83    90.00000  111.45300
   75    51    52    60.00000  105.75400
   75    51    55    90.00000  109.70700
   75    70    71    55.00000  108.98800
   76    70    71    37.50000  110.70000
   76    70    75    95.00000  107.88500
   76    83    84    65.00000  108.53500
   78    76    77    33.00000  107.80000
   83    76    77    60.00000  109.39000
   83    76    78    60.00000  109.39000
   72    64    65    60.00000  109.39000
   72    64    70    90.00000  111.45300
   66    58    59    60.00000  109.39000
   66    58    64    90.00000  111.45300
   60    55    56    60.00000  109.39000
   60    55    58    90.00000  111.45300
   44    42    43    65.00000  118.96000
   44    49    50    40.00000  117.72500
   44    49    53    65.00000  118.96000
   49    44    45    80.00000  123.72100
   49    53    54    35.00000  120.00000
   49    53    57    60.00000  123.20500
   53    49    50    35.00000  120.00000
   53    57    62    60.00000  120.93500
   53    57    85    60.00000  120.93500
   57    53    54    40.00000  117.26300
   57    62    63    35.00000  120.00000
   57    62    68    63.00000  120.00000
   57    85    79    63.00000  120.00000
   57    85    86    35.00000  120.00000
   62    68    69    35.00000  120.00000
   62    68    74    63.00000  120.00000
   68    62    63    35.00000  120.00000
   68    74    79    63.00000  120.00000
   68    74    81    70.00000  120.00000
   74    68    69    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    85    63.00000  120.00000
   74    81    82    35.00000  113.00000
   79    85    86    35.00000  120.00000
   85    57    62    63.00000  120.00000
   85    79    80    35.00000  120.00000
   81    74    79    70.00000  120.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    43   0.65300  1.0 1.0
   29    33    46    43  -0.03850 -1.0 2.0
   29    33    46    43   0.33900  1.0 3.0
   29    33    46    47   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    46    43   0.65300  1.0 1.0
   34    33    46    43  -0.03850 -1.0 2.0
   34    33    46    43   0.33900  1.0 3.0
   34    33    46    47   0.30150 -1.0 2.0
   38    33    46    43   0.65300  1.0 1.0
   38    33    46    43  -0.03850 -1.0 2.0
   38    33    46    43   0.33900  1.0 3.0
   38    33    46    47   0.30150 -1.0 2.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    46   7.00000 -1.0 2.0
   40    42    43    48   7.00000 -1.0 2.0
   40    42    44    45   1.00000 -1.0 2.0
   40    42    44    49  -1.18350  1.0 1.0
   40    42    44    49   1.45950 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43   -46    33  -0.33500  1.0 1.0
   42    43   -46    33   1.06600 -1.0 2.0
   42    43   -46    33  -0.14000  1.0 3.0
   42    43    46    47   1.00000 -1.0 2.0
   42    43    48    51  -2.26850  1.0 1.0
   42    43    48    51   3.39050 -1.0 2.0
   42    44    49    50   0.93700 -1.0 2.0
   42    44    49    53  -1.18350  1.0 1.0
   42    44    49    53   1.45950 -1.0 2.0
   43    42    44    45   1.00000 -1.0 2.0
   43    42    44    49  -1.18350  1.0 1.0
   43    42    44    49   1.45950 -1.0 2.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    55  -0.46850  1.0 1.0
   43    48    51    55   0.09300 -1.0 2.0
   43    48    51    55  -0.12850  1.0 3.0
   43    48    51    75  -0.48150  1.0 1.0
   43    48    51    75   0.09250 -1.0 2.0
   43    48    51    75  -0.12850  1.0 3.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.51250  1.0 1.0
   46    33   -38    40  -0.88800 -1.0 2.0
   46    33   -38    40   0.08850  1.0 3.0
   46    43    48    51   0.15100 -1.0 2.0
   48    43    46    33   0.32450 -1.0 2.0
   48    43    46    33   0.17400  1.0 3.0
   48    43    46    47  -0.11900  1.0 1.0
   48    43    46    47   0.76850 -1.0 2.0
   48    43    46    47   0.14100  1.0 3.0
   48    51    55    56   0.23400  1.0 3.0
   48    51    55    58   0.62750  1.0 1.0
   48    51    55    58  -0.30950 -1.0 2.0
   48    51    55    58   0.27300  1.0 3.0
   48    51    55    60   1.51850  1.0 1.0
   48    51    75    70  -0.70400  1.0 1.0
   48    51    75    70  -0.90350 -1.0 2.0
   51    55    58    59   0.15000  1.0 3.0
   51    55    58    64   0.56750  1.0 1.0
   51    55    58    64  -0.07550 -1.0 2.0
   51    55    58    64   0.20000  1.0 3.0
   51    55    58    66  -0.47750  1.0 1.0
   51    55    60    61   0.29150  1.0 1.0
   51    55    60    61  -0.28350 -1.0 2.0
   51    55    60    61   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   52    51    55    60   0.23400  1.0 3.0
   52    51    75    70   0.37050  1.0 3.0
   55    51    75    70   0.06250  1.0 1.0
   55    51    75    70  -0.01100 -1.0 2.0
   55    51    75    70   0.28050  1.0 3.0
   55    58    64    65   0.15000  1.0 3.0
   55    58   -64    70   0.56750  1.0 1.0
   55    58   -64    70  -0.07550 -1.0 2.0
   55    58   -64    70   0.20000  1.0 3.0
   55    58    64    72  -0.47750  1.0 1.0
   55    58    66    67   0.29150  1.0 1.0
   55    58    66    67  -0.28350 -1.0 2.0
   55    58    66    67   0.43600  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    64   0.15000  1.0 3.0
   56    55    58    66   0.23400  1.0 3.0
   56    55    60    61   0.19450  1.0 3.0
   58    55    60    61   0.29150  1.0 1.0
   58    55    60    61  -0.28350 -1.0 2.0
   58    55    60    61   0.43600  1.0 3.0
   58    64    70    71   0.15000  1.0 3.0
   58    64    70    75   0.62750  1.0 1.0
   58    64    70    75  -0.30950 -1.0 2.0
   58    64    70    75   0.27300  1.0 3.0
   58    64    70    76   0.56750  1.0 1.0
   58    64    70    76  -0.07550 -1.0 2.0
   58    64    70    76   0.20000  1.0 3.0
   58    64    72    73   0.29150  1.0 1.0
   58    64    72    73  -0.28350 -1.0 2.0
   58    64    72    73   0.43600  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    70   0.15000  1.0 3.0
   59    58    64    72   0.23400  1.0 3.0
   59    58    66    67   0.19450  1.0 3.0
   64    58    66    67   0.29150  1.0 1.0
   64    58    66    67  -0.28350 -1.0 2.0
   64    58    66    67   0.43600  1.0 3.0
   64    70   -75    51   0.06250  1.0 1.0
   64    70   -75    51  -0.01100 -1.0 2.0
   64    70   -75    51   0.28050  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    83  -0.47750  1.0 1.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    75   0.23400  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   70    64    72    73   0.29150  1.0 1.0
   70    64    72    73  -0.28350 -1.0 2.0
   70    64    72    73   0.43600  1.0 3.0
   70    76    83    84   0.29150  1.0 1.0
   70    76    83    84  -0.28350 -1.0 2.0
   70    76    83    84   0.43600  1.0 3.0
   71    70    75    51   0.37050  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    83   0.23400  1.0 3.0
   75    51    55    56   0.23400  1.0 3.0
   75    51   -55    58   0.62750  1.0 1.0
   75    51   -55    58  -0.30950 -1.0 2.0
   75    51   -55    58   0.27300  1.0 3.0
   75    51    55    60   1.51850  1.0 1.0
   75    70    76    77   0.23400  1.0 3.0
   75    70    76    78   0.23400  1.0 3.0
   75    70    76    83   1.51850  1.0 1.0
   76    70    75    51   0.06250  1.0 1.0
   76    70    75    51  -0.01100 -1.0 2.0
   76    70    75    51   0.28050  1.0 3.0
   77    76    83    84   0.19450  1.0 3.0
   78    76    83    84   0.19450  1.0 3.0
   72    64    70    71   0.23400  1.0 3.0
   72    64    70    75   1.51850  1.0 1.0
   72    64    70    76  -0.47750  1.0 1.0
   66    58    64    65   0.23400  1.0 3.0
   66    58    64    70  -0.47750  1.0 1.0
   66    58    64    72   3.77950  1.0 1.0
   60    55    58    59   0.23400  1.0 3.0
   60    55    58    64  -0.47750  1.0 1.0
   60    55    58    66   3.77950  1.0 1.0
   44    42    43    46   7.00000 -1.0 2.0
   44    42    43    48   7.00000 -1.0 2.0
   44    49    53    54   7.00000 -1.0 2.0
   44    49    53    57   7.00000 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    53   1.00000 -1.0 2.0
   49    53    57    62   0.15800  1.0 1.0
   49    53    57    62   1.85350 -1.0 2.0
   49    53    57    62  -0.48700  1.0 3.0
   49    53    57    85   0.15800  1.0 1.0
   49    53    57    85   1.85350 -1.0 2.0
   49    53    57    85  -0.48700  1.0 3.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    57   7.00000 -1.0 2.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    68   3.62500 -1.0 2.0
   53    57    85    79   3.62500 -1.0 2.0
   53    57    85    86   3.62500 -1.0 2.0
   54    53    57    62   0.56550  1.0 3.0
   54    53    57    85   0.56550  1.0 3.0
   57    62    68    69   3.62500 -1.0 2.0
   57    62    68    74   3.62500 -1.0 2.0
   62    57    85    79   3.62500 -1.0 2.0
   62    57    85    86   3.62500 -1.0 2.0
   62    68   -74    79   3.62500 -1.0 2.0
   62    68    74    81   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   63    62    68    74   3.62500 -1.0 2.0
   68    74    79    80   3.62500 -1.0 2.0
   68    74    79    85   3.62500 -1.0 2.0
   68    74    81    82   0.84100 -1.0 2.0
   69    68    74    79   3.62500 -1.0 2.0
   69    68    74    81   3.62500 -1.0 2.0
   74    79   -85    57   3.62500 -1.0 2.0
   74    79    85    86   3.62500 -1.0 2.0
   79    74    81    82   0.84100 -1.0 2.0
   80    79    85    57   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   85    57    62    63   3.62500 -1.0 2.0
   85    57   -62    68   3.62500 -1.0 2.0
   81    74    79    80   3.62500 -1.0 2.0
   81    74    79    85   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    44    42    43   1.10000 -1.0 2.0
   46    48    43    42   1.10000 -1.0 2.0
   33    43    46    47  10.50000 -1.0 2.0
   42    49    44    45  10.50000 -1.0 2.0
   44    50    49    53  15.00000 -1.0 2.0
   57    54    53    49  15.00000 -1.0 2.0
   62    85    57    53   4.00000 -1.0 2.0
   68    63    62    57   1.10000 -1.0 2.0
   74    69    68    62   1.10000 -1.0 2.0
   79    81    74    68   4.00000 -1.0 2.0
   85    80    79    74   1.10000 -1.0 2.0
   79    86    85    57   1.10000 -1.0 2.0
END
