* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    223     421
    1     0 S   NP   _N1_     1    28.70795    96.49469   -23.07636
    2     1 S   H    _HN1     2     1.02829    40.39589   168.07529
    3     1 S   H    _H1_     3     1.02785   102.78647   -89.26061
    4     1 S   H    _H2_     4     1.02950    71.02500    16.01397
    5     1 S   CT   _CA1     5     1.50108   141.62004   115.21122
    6     5 S   HC   _HA1     6     1.09573   105.20461    92.77732
    7     5 S   CO3  _C1_     7     1.53783   112.44314   -27.46937
    8     7 S   O2Z  _O11     8     1.26369   115.01143   -43.28389
    9     7 S   O2Z  _O12     9     1.26239   114.94151   135.86354
   10     5 S   CT   _CB1    10     1.53081   107.42478  -149.25108
   11    10 S   HC   HB11    11     1.09833   109.37011   -49.92544
   12    10 S   HC   HB12    12     1.09813   110.44888    66.67621
   13    10 S   CT   _CG1    13     1.52994   112.60606  -170.91208
   14    13 S   HC   HG11    14     1.09583   110.62040   -65.40286
   15    13 S   HC   HG12    15     1.09670   109.79948    53.82832
   16    13 S   C    _CD1    16     1.51801   112.22831   174.27652
   17    16 S   O    _OE1    17     1.22733   123.28393     6.31339
   18    16 S   N    _N2_    18     1.38658   111.67791  -173.75537
   19    18 S   H    _HN2    19     1.01580   118.93772     1.71954
   20    18 S   CT1  _CA2    20     1.46188   123.36711   177.45270
   21    20 S   HC   _HA2    21     1.09736   109.36658     2.40159
   22    20 S   C    _C2_    22     1.53548   108.55680  -113.07742
   23    22 S   O    _O2_    23     1.23055   122.29935  -147.50901
   24    20 S   CT   _CB2    32     1.53321   111.66812   124.42254
   25    24 S   HC   HB21    33     1.09589   110.15020    56.49308
   26    24 S   HC   HB22    34     1.09466   109.89238   175.54258
   27    22 S   N    _N3_    24     1.38332   113.68631    39.89815
   28    27 S   H    _HN3    25     1.01586   119.59419    -3.26729
   29    24 S   S    _SG2    35     1.82849   111.56482   -64.40833
   30    27 S   CT   _CA3    26     1.45285   123.20607   177.16400
   31    30 S   HC   HA31    27     1.09549   107.51041   -64.57611
   32    30 S   HC   HA32    28     1.09557   107.98390    51.86178
   33    29 S   CT   _C10    36     1.83938    99.58509   175.73194
   34    33 S   HC   _H3_    37     1.09698   105.97935   -50.51569
   35    30 S   CO3  _C3_    29     1.52960   114.08145   173.85599
   36    35 S   O2Z  _O31    30     1.26377   116.06661    -0.70721
   37    35 S   O2Z  _O32    31     1.26428   114.41203   179.35502
   38    33 S   CA   _C9_    38     1.51892   112.12583    68.72872
   39    33 S   CT   _C11    51     1.53698   108.63090  -166.35212
   40    39 S   HC   _H10    52     1.09765   111.60364    53.86217
   41    39 S   HC   _H11    53     1.09719   112.03280   -65.51559
   42    38 S   CA   _C4_    39     1.40537   121.84700    61.19744
   43    42 S   HA   _H7_    40     1.08749   120.51656    -0.71655
   44    39 S   CO4  _C12    54     1.51092   111.36273   173.77024
   45    44 S   O    _O33    55     1.22363   123.80320   111.84806
   46    42 S   CA   _C5_    41     1.39674   120.85015   179.34568
   47    46 S   HA   _H8_    42     1.08619   119.32707   179.78694
   48    44 S   OS   _O34    56     1.36236   109.88222   -67.54183
   49    46 S   CA   _C6_    43     1.39255   119.72987    -0.40056
   50    48 S   CT   _C13    57     1.44315   117.48158   174.86592
   51    50 S   HC   _H4_    58     1.09798   109.54363    36.83158
   52    49 S   CA   _C7_    44     1.39164   120.14158    -0.07662
   53    49 S   OH   _O41    49     1.36708   120.46360  -179.85196
   54    53 S   HO   _H20    50     0.97192   108.72862     0.49377
   55    50 S   CT   _C14    59     1.53686   109.23287   -83.58283
   56    55 S   HC   _H12    60     1.09799   109.79568   -50.23108
   57    55 S   HC   _H13    61     1.09817   108.19905    64.20253
   58    38 S   CA   _C8_    45     1.40506   119.52429  -119.93406
   59    58 S   HA   _H9_    46     1.08731   119.88414     0.72036
   60    52 S   OH   _O40    47     1.36735   119.26777  -179.34988
   61    60 S   HO   _H19    48     0.97228   108.89238   174.42195
   62    55 S   CT   _C15    62     1.53488   112.28456  -173.84680
   63    62 S   CT   _C16    63     1.53126   112.03791    51.67896
   64    63 S   HC   _H14    64     1.09836   109.90099  -172.27234
   65    63 S   HC   _H15    65     1.09707   111.50551    71.40721
   66    62 S   CO3  _C19    74     1.55039   106.25207   176.89253
   67    66 S   O2Z  _O38    75     1.26630   114.70009    76.94312
   68    66 S   O2Z  _O37    76     1.26256   116.17813  -102.25233
   69    62 S   OH   _O39    77     1.43453   108.56419   -67.24151
   70    69 S   HO   _H18    78     0.97506   106.97260   -71.71664
   71    63 S   CT   _C17    66     1.53372   112.10052   -51.64324
   72    71 S   HC   _H5_    67     1.09680   109.51496   -66.61131
   73    50 S   CT   _C18    68     1.53513   108.26992   154.61520
   74    73 S   HC   _H6_    69     1.09578   109.96281   -62.35823
   75    71 S   OH   _O36    72     1.42511   109.73773   176.04126
   76    75 S   HO   _H17    73     0.97242   107.50441    56.32292
   77    73 S   OH   _O35    70     1.43214   110.37940    53.32276
   78    77 S   HO   _H16    71     0.97059   109.01983    65.24314
  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   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  15   8   6   3   1  15   6   5   3   1   1   1  12  14   7
   6   5   2   1   2   1   7   5   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    58    59    60    39    40    41    44  
   40    41    44    45    48    50    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    58    59    53  
   46    47    49    58  
   45    48    50    51    55    73  
   48    50  
   47    49    52    58    60    53    54  
   49    52    53  
   50    51    55    56    57    62    71    73    74    77  
   52    58    59    60    61    53    54  
   51    55    56    57    62    63    71    72    73    74    77    78    75    66    69  
   55    56    57    62    71    73    74    77  
   58    59    60    61    53    54  
   54    58    60  
    0  
   56    57    62    63    64    65    71    73    74    77    66    67    68    69    70  
   57    62    63    73    66    69  
   62    63    73    66    69  
   59    60    61  
   60  
   61  
    0  
   63    64    65    71    72    73    75    66    67    68    69    70  
   64    65    71    72    73    74    77    75    76    66    67    68    69    70  
   65    71    72    73    75    66    69  
   71    72    73    75    66    69  
   67    68    69    70    71  
   68    69  
   69  
   70    71  
    0  
   72    73    74    77    78    75    76  
   73    74    77    75    76  
   74    77    78    75    76  
   77    78    75  
   76    77  
    0  
   78  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   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    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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    58   469.000  1.400
   52    60   450.000  1.364
   58    59   367.000  1.080
   60    61   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    73   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   268.000  1.529
   62    66   317.000  1.522
   62    69   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   320.000  1.410
   73    74   340.000  1.090
   73    77   320.000  1.410
   77    78   553.000  0.945
   75    76   553.000  0.945
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    52    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    52    60    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    58    59    35.00000  120.00000
   52    60    61    35.00000  113.00000
   58    38    42    63.00000  120.00000
   60    52    58    70.00000  120.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    73    50.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    62    58.35000  112.70000
   50    73    71    58.35000  112.70000
   50    73    74    37.50000  110.70000
   50    73    77    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    62    63    58.35000  112.70000
   55    62    66    70.00000  109.69300
   55    62    69    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    71    58.35000  112.70000
   62    66    67    70.00000  117.00000
   62    66    68    70.00000  117.00000
   62    69    70    55.00000  108.50000
   63    71    72    37.50000  110.70000
   63    71    73    58.35000  112.70000
   63    71    75    50.00000  109.50000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    77    50.00000  109.50000
   71    75    76    55.00000  108.50000
   73    50    51    37.50000  110.70000
   73    50    55    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    77    78    55.00000  108.50000
   77    73    74    35.00000  109.50000
   75    71    72    35.00000  109.50000
   75    71    73    50.00000  109.50000
   66    62    63    70.00000  109.69300
   68    66    67    80.00000  126.00000
   69    62    63    50.00000  109.50000
   69    62    66    95.00000  109.52300
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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    52   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    52   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    58   3.62500 -1.0 2.0
   46    49    52    60   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -58    38   3.62500 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   49    52    60    61   0.84100 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   58    52    60    61   0.84100 -1.0 2.0
   60    52    58    38   3.62500 -1.0 2.0
   60    52    58    59   3.62500 -1.0 2.0
   53    49    52    58   3.62500 -1.0 2.0
   53    49    52    60   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    73  -0.25900  1.0 1.0
   44    48    50    73  -0.47000 -1.0 2.0
   44    48    50    73   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    57   0.23400  1.0 3.0
   48    50    55    62   0.62750  1.0 1.0
   48    50    55    62  -0.30950 -1.0 2.0
   48    50    55    62   0.27300  1.0 3.0
   48    50    73    71   0.62750  1.0 1.0
   48    50    73    71  -0.30950 -1.0 2.0
   48    50    73    71   0.27300  1.0 3.0
   48    50    73    74   0.23400  1.0 3.0
   48    50    73    77   3.69350  1.0 1.0
   48    50    73    77  -1.82950 -1.0 2.0
   50    55    62    63   0.56750  1.0 1.0
   50    55    62    63  -0.07550 -1.0 2.0
   50    55    62    63   0.20000  1.0 3.0
   50    55    62    66  -1.63150  1.0 1.0
   50    55    62    66  -0.43550 -1.0 2.0
   50    55    62    66   0.24500  1.0 3.0
   50    55    62    69   0.86500  1.0 1.0
   50    55    62    69  -0.17500 -1.0 2.0
   50    55    62    69   0.20800  1.0 3.0
   50    73    77    78  -0.11600  1.0 1.0
   50    73    77    78  -0.09450 -1.0 2.0
   50    73    77    78   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    62   0.15000  1.0 3.0
   51    50    73    71   0.15000  1.0 3.0
   51    50    73    74   0.15000  1.0 3.0
   51    50    73    77   0.23400  1.0 3.0
   55    50    73    71   0.56750  1.0 1.0
   55    50    73    71  -0.07550 -1.0 2.0
   55    50    73    71   0.20000  1.0 3.0
   55    50    73    74   0.15000  1.0 3.0
   55    50    73    77   0.86500  1.0 1.0
   55    50    73    77  -0.17500 -1.0 2.0
   55    50    73    77   0.20800  1.0 3.0
   55    62    63    64   0.15000  1.0 3.0
   55    62    63    65   0.15000  1.0 3.0
   55    62   -63    71   0.56750  1.0 1.0
   55    62   -63    71  -0.07550 -1.0 2.0
   55    62   -63    71   0.20000  1.0 3.0
   55    62    66    67   0.41150 -1.0 2.0
   55    62    66    68   0.41150 -1.0 2.0
   55    62    69    70  -0.11600  1.0 1.0
   55    62    69    70  -0.09450 -1.0 2.0
   55    62    69    70   0.21250  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    66  -0.11250  1.0 3.0
   56    55    62    69   0.23400  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    66  -0.11250  1.0 3.0
   57    55    62    69   0.23400  1.0 3.0
   62    63    71    72   0.15000  1.0 3.0
   62    63    71    73   0.56750  1.0 1.0
   62    63    71    73  -0.07550 -1.0 2.0
   62    63    71    73   0.20000  1.0 3.0
   62    63    71    75   0.86500  1.0 1.0
   62    63    71    75  -0.17500 -1.0 2.0
   62    63    71    75   0.20800  1.0 3.0
   63    62    66    67   0.41150 -1.0 2.0
   63    62    66    68   0.41150 -1.0 2.0
   63    62    69    70  -0.11600  1.0 1.0
   63    62    69    70  -0.09450 -1.0 2.0
   63    62    69    70   0.21250  1.0 3.0
   63    71   -73    50   0.56750  1.0 1.0
   63    71   -73    50  -0.07550 -1.0 2.0
   63    71   -73    50   0.20000  1.0 3.0
   63    71    73    74   0.15000  1.0 3.0
   63    71    73    77   0.86500  1.0 1.0
   63    71    73    77  -0.17500 -1.0 2.0
   63    71    73    77   0.20800  1.0 3.0
   63    71    75    76  -0.11600  1.0 1.0
   63    71    75    76  -0.09450 -1.0 2.0
   63    71    75    76   0.21250  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    75   0.23400  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    75   0.23400  1.0 3.0
   71    73    77    78  -0.11600  1.0 1.0
   71    73    77    78  -0.09450 -1.0 2.0
   71    73    77    78   0.21250  1.0 3.0
   72    71    73    50   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    77   0.23400  1.0 3.0
   72    71    75    76   0.19450  1.0 3.0
   73    50    55    56   0.15000  1.0 3.0
   73    50    55    57   0.15000  1.0 3.0
   73    50   -55    62   0.56750  1.0 1.0
   73    50   -55    62  -0.07550 -1.0 2.0
   73    50   -55    62   0.20000  1.0 3.0
   73    71    75    76  -0.11600  1.0 1.0
   73    71    75    76  -0.09450 -1.0 2.0
   73    71    75    76   0.21250  1.0 3.0
   74    73    77    78   0.19450  1.0 3.0
   75    71    73    50   0.86500  1.0 1.0
   75    71    73    50  -0.17500 -1.0 2.0
   75    71    73    50   0.20800  1.0 3.0
   75    71    73    74   0.23400  1.0 3.0
   75    71    73    77   3.75450  1.0 1.0
   66    62    63    64  -0.11250  1.0 3.0
   66    62    63    65  -0.11250  1.0 3.0
   66    62    63    71  -1.63150  1.0 1.0
   66    62    63    71  -0.43550 -1.0 2.0
   66    62    63    71   0.24500  1.0 3.0
   66    62    69    70   0.91850  1.0 1.0
   66    62    69    70   0.57950  1.0 3.0
   69    62    63    64   0.23400  1.0 3.0
   69    62    63    65   0.23400  1.0 3.0
   69    62    63    71   0.86500  1.0 1.0
   69    62    63    71  -0.17500 -1.0 2.0
   69    62    63    71   0.20800  1.0 3.0
   69    62    66    67   0.30150 -1.0 2.0
   69    62    66    68   0.30150 -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
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   58    60    52    49   4.00000 -1.0 2.0
   52    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   67    62    66    68  10.50000 -1.0 2.0
END
