* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    263     499
    1     0 S   NP   _N1_     1    28.83219    98.84028   -20.71765
    2     1 S   H    _HN1     2     1.02831    49.06685   136.48156
    3     1 S   H    _H1_     3     1.02773    97.35081  -116.10075
    4     1 S   H    _H2_     4     1.02954    65.20526    -9.19569
    5     1 S   CT   _CA1     5     1.50116   149.22596    79.25074
    6     5 S   HC   _HA1     6     1.09581   105.17837   101.72329
    7     5 S   CO3  _C1_     7     1.53935   112.70919   -18.20997
    8     7 S   O2Z  _O11     8     1.26358   114.98322   -36.28008
    9     7 S   O2Z  _O12     9     1.26349   115.06996   143.16091
   10     5 S   CT   _CB1    10     1.53209   107.41038  -140.37688
   11    10 S   HC   HB11    11     1.09801   109.49355   -51.02228
   12    10 S   HC   HB12    12     1.09806   110.39631    65.75123
   13    10 S   CT   _CG1    13     1.52758   112.28789  -172.14255
   14    13 S   HC   HG11    14     1.09458   109.97123   -64.82497
   15    13 S   HC   HG12    15     1.09655   109.95112    54.26308
   16    13 S   C    _CD1    16     1.51651   113.30444   175.21144
   17    16 S   O    _OE1    17     1.22675   123.55876    -2.41557
   18    16 S   N    _N2_    18     1.38531   111.09936   177.39331
   19    18 S   H    _HN2    19     1.01767   118.57319     5.02340
   20    18 S   CT1  _CA2    20     1.45704   123.48456   179.12643
   21    20 S   HC   _HA2    21     1.09691   109.15929    22.29821
   22    20 S   C    _C2_    22     1.52933   107.12489   -95.21295
   23    22 S   O    _O2_    23     1.22964   123.01692   -23.61716
   24    20 S   CT   _CB2    32     1.53141   111.64845   145.62400
   25    24 S   HC   HB21    33     1.09547   109.62070    57.23218
   26    24 S   HC   HB22    34     1.09523   110.76850   175.31939
   27    22 S   N    _N3_    24     1.38651   112.40388   159.59072
   28    27 S   H    _HN3    25     1.01486   119.76730    -0.16432
   29    24 S   S    _SG2    35     1.82952   111.64936   -64.83126
   30    27 S   CT   _CA3    26     1.45425   122.52332   173.82819
   31    30 S   HC   HA31    27     1.09552   108.68538    35.80592
   32    30 S   HC   HA32    28     1.09471   107.22876   152.94075
   33    29 S   CT   _C20    36     1.83867    99.06224   155.30382
   34    33 S   HC   _H9_    37     1.09715   106.64429    38.57654
   35    30 S   CO3  _C3_    29     1.53163   113.86593   -86.86202
   36    35 S   O2Z  _O31    30     1.26366   116.04606   -25.69351
   37    35 S   O2Z  _O32    31     1.26447   114.54771   155.07516
   38    33 S   CT   _C7_    38     1.55021   110.51601   -80.59334
   39    38 S   HC   _H4_    39     1.09152   108.34807    40.58782
   40    33 S   CT   _C21    84     1.52853   108.32851   153.19977
   41    40 S   HC   _H27    85     1.09535   112.56871    58.10413
   42    40 S   HC   _H28    86     1.09632   110.84650   -62.47435
   43    40 S   HC   _H29    87     1.09519   110.66832   178.98048
   44    38 S   CO4  _C8_    40     1.52095   108.44079   155.24121
   45    44 S   O    _O33    41     1.22359   124.78795    97.44813
   46    38 S   CT   _C6_    71     1.54656   115.25932   -80.00251
   47    46 S   HC   _H13    72     1.09779   107.61390   -60.64245
   48    46 S   HC   _H14    73     1.09650   109.52536    54.04482
   49    44 S   OS   _O34    42     1.36793   109.43946   -83.84804
   50    49 S   CT   _C9_    43     1.42612   116.06865  -168.57732
   51    50 S   HC   _H5_    44     1.09973   110.19293   -32.56131
   52    50 S   CT   _C12    45     1.53172   113.02566    89.69704
   53    52 S   HC   _H8_    46     1.09637   111.40042   -84.88967
   54    50 S   CT   _C10    58     1.52144   113.00190  -152.34032
   55    54 S   HC   _H6_    59     1.09420   112.00776    71.51540
   56    52 S   CM   _C13    47     1.51125   120.73908    46.46112
   57    54 S   OH   _O38    60     1.42161   111.45456   -49.40622
   58    57 S   HO   _H26    61     0.97297   107.87318   176.03177
   59    56 S   CM   _C14    48     1.34098   110.75777   124.37785
   60    59 S   HC   _H17    49     1.08096   124.87288  -179.78239
   61    56 S   CT   _C16    62     1.49083   124.59067   -54.01497
   62    61 S   HC   _H20    63     1.09625   109.28197    70.89212
   63    61 S   HC   _H21    64     1.09680   110.52860  -169.97018
   64    59 S   CT   _C15    50     1.48728   111.77456    -2.33028
   65    64 S   HC   _H18    51     1.09427   111.32798   108.72491
   66    64 S   HC   _H19    52     1.09283   112.68027  -127.17633
   67    61 S   OS   _O35    65     1.43351   110.28380   -50.00022
   68    52 S   NP   _N4_    53     1.55031   101.84505   161.21070
   69    68 S   H    _H7_    54     1.02908   109.94737   101.10699
   70    67 S   CO4  _C17    66     1.36904   114.30668   173.17289
   71    70 S   O    _O36    67     1.22584   124.94895     3.22816
   72    68 S   CT   _C11    55     1.53211   107.51244   -17.65697
   73    72 S   HC   _H15    56     1.09289   109.52397  -132.23356
   74    72 S   HC   _H16    57     1.09462   105.46262   108.89680
   75    70 S   CT   _C18    68     1.52816   111.04001  -176.88945
   76    75 S   CT   _C5_    69     1.56033   112.84511    54.68629
   77    76 S   HC   _H3_    70     1.09629   108.61946   -56.50075
   78    75 S   CT   _C19    78     1.53604   106.87398   -70.35064
   79    78 S   HC   _H22    79     1.09515   111.64375  -163.63748
   80    78 S   HC   _H23    80     1.09508   111.66149    73.91886
   81    78 S   HC   _H24    81     1.09715   110.82105   -45.94473
   82    75 S   OH   _O37    82     1.42716   107.70858   174.16336
   83    82 S   HO   _H25    83     0.97604   108.60063    67.77063
   84    76 S   CT   _C4_    74     1.54342   111.03096  -172.77871
   85    84 S   HC   _H10    75     1.09496   111.47476   -59.20003
   86    84 S   HC   _H11    76     1.09578   110.89489  -179.44715
   87    84 S   HC   _H12    77     1.09407   111.52530    62.21556
  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  10   5   4   3
  14   8   2   1   1  16   8   5   2   1   1  10   3  13   5   4
  10  16   8  19   8  10   6  13   5   1  11   5   8   3   2   7
   4   3   6   4   3  11   4   2   1   1  12  11   6   6   3   2
   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    76    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    75    76    77    46    47    48    84    40    41    42    43  
   44    45    49    76    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    54    76    46    47    48  
   49    50    46  
   47    48    84    85    86    87    78    82    49    70    75    76    77  
   48    84    75    76    77  
   84    75    76    77  
   50    51    52    53    56    68    72    54    55    57  
   51    52    53    56    59    64    68    69    72    73    74    54    55    57    58    61  
   52    53    56    68    72    54    55    57  
   53    56    59    60    64    65    66    68    69    72    73    74    54    55    57    61    62    63    67  
   56    59    64    68    69    72    54    61  
   55    57    58    56    64    68    69    72    73    74  
   57    58    68    72    73    74  
   59    60    64    65    66    68    69    72    61    62    63    67    70  
   58    68    72    73    74  
   72  
   60    64    65    66    68    69    72    61    62    63    67  
   64    65    66    68    61  
   62    63    67    70    71    75    64    68  
   63    67    70  
   67    70  
   65    66    68    69    72    73    74  
   66    68    69    72  
   68    69    72  
   70    71    75    76    78    82  
   69    72    73    74  
   72    73    74  
   71    75    76    77    84    78    79    80    81    82    83  
   75    76    78    82  
   73    74  
   74  
    0  
   76    77    84    85    86    87    78    79    80    81    82    83  
   77    84    85    86    87    78    79    80    81    82    83  
   84    85    86    87    78    82  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   85    86    87  
   86    87  
   87  
    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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    68   367.000  1.471
   56    59   549.000  1.340
   56    61   317.000  1.510
   59    60   340.000  1.080
   59    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   367.000  1.471
   68    69   434.000  1.010
   68    72   367.000  1.471
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    54   268.000  1.529
   54    55   340.000  1.090
   54    57   320.000  1.410
   57    58   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    70   214.000  1.327
   70    71   570.000  1.229
   70    75   317.000  1.522
   75    76   268.000  1.529
   75    78   268.000  1.529
   75    82   320.000  1.410
   76    77   340.000  1.090
   76    46   268.000  1.529
   76    84   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    76    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    52    68    80.00000  111.20000
   50    54    72    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    50.00000  109.50000
   52    50    51    37.50000  110.70000
   52    56    59    70.00000  124.00000
   52    56    61    65.00000  117.92700
   52    68    64    75.00000  113.01200
   52    68    69    35.00000  109.50000
   52    68    72    75.00000  113.01200
   56    52    53    35.00000  109.50000
   56    59    60    35.00000  120.00000
   56    59    64    70.00000  124.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    67    85.00000  110.90400
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    75.00000  110.06800
   64    59    60    35.00000  117.00000
   64    68    69    35.00000  109.50000
   64    68    72    75.00000  113.01200
   66    64    65    33.00000  107.80000
   68    52    53    35.00000  109.50000
   68    52    56    75.00000  110.06800
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    54    80.00000  111.20000
   72    68    69    35.00000  109.50000
   72    54    55    37.50000  110.70000
   72    54    57    50.00000  109.50000
   74    72    73    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    72    73    37.50000  110.70000
   54    72    74    37.50000  110.70000
   54    57    58    55.00000  108.50000
   57    54    55    35.00000  109.50000
   61    56    59    70.00000  124.00000
   61    67    70    83.00000  116.90000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   67    70    71    83.00000  123.40000
   67    70    75    81.00000  111.40000
   70    75    76    63.00000  111.10000
   70    75    78    63.00000  111.10000
   70    75    82    90.00000  109.61100
   75    70    71    80.00000  120.40000
   75    76    77    37.50000  110.70000
   75    76    46    58.35000  112.70000
   75    76    84    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    55.00000  108.50000
   76    46    47    37.50000  110.70000
   76    46    48    37.50000  110.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    76    77    37.50000  110.70000
   48    46    47    33.00000  107.80000
   84    76    77    37.50000  110.70000
   84    76    46    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    75    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    50.00000  109.50000
   82    75    78    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    76   0.56750  1.0 1.0
   33    38    46    76  -0.07550 -1.0 2.0
   33    38    46    76   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    76   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    76  -0.95700  1.0 1.0
   44    38    46    76  -0.18200 -1.0 2.0
   44    38    46    76   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    54  -0.25900  1.0 1.0
   44    49    50    54  -0.47000 -1.0 2.0
   44    49    50    54   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    56   0.61850  1.0 1.0
   49    50    52    56  -0.22750 -1.0 2.0
   49    50    52    56   0.15300  1.0 3.0
   49    50    52    68   1.69300  1.0 1.0
   49    50    52    68  -0.48450 -1.0 2.0
   49    50    54    72   0.62750  1.0 1.0
   49    50    54    72  -0.30950 -1.0 2.0
   49    50    54    72   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    57   3.69350  1.0 1.0
   49    50    54    57  -1.82950 -1.0 2.0
   50    52    56    59   0.09850  1.0 1.0
   50    52    56    59   0.15250 -1.0 2.0
   50    52    56    59  -0.50650  1.0 3.0
   50    52    56    61   0.46850  1.0 1.0
   50    52    56    61   0.08550 -1.0 2.0
   50    52    56    61   0.09800  1.0 3.0
   50    52    68    64   0.47100  1.0 1.0
   50    52    68    69   0.17350  1.0 3.0
   50    52   -68    72   0.47100  1.0 1.0
   50    54    57    58  -0.11600  1.0 1.0
   50    54    57    58  -0.09450 -1.0 2.0
   50    54    57    58   0.21250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    68   0.19200  1.0 3.0
   51    50    54    72   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.23400  1.0 3.0
   52    50   -54    72   0.56750  1.0 1.0
   52    50   -54    72  -0.07550 -1.0 2.0
   52    50   -54    72   0.20000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.86500  1.0 1.0
   52    50    54    57  -0.17500 -1.0 2.0
   52    50    54    57   0.20800  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56   -59    64   7.00000 -1.0 2.0
   52    56    61    62   0.34800  1.0 3.0
   52    56    61    63   0.34800  1.0 3.0
   52    56    61    67   0.09700  1.0 1.0
   52    56    61    67   0.15600 -1.0 2.0
   52    56    61    67  -0.50800  1.0 3.0
   52    68    72    73   0.15000  1.0 3.0
   52    68    72    74   0.15000  1.0 3.0
   52    68   -72    54   0.47100  1.0 1.0
   53    52    56    59   0.00000  1.0 1.0
   53    52    56    61   0.34800  1.0 3.0
   53    52    68    64   0.15000  1.0 3.0
   53    52    68    69   0.13050  1.0 3.0
   53    52    68    72   0.15000  1.0 3.0
   56    52   -68    64   0.08000 -1.0 2.0
   56    52    68    69   0.17350  1.0 3.0
   56    52    68    72   0.08000 -1.0 2.0
   56    59    64    65   0.00000  1.0 1.0
   56    59    64    66   0.00000  1.0 1.0
   56    59   -64    68   0.80850  1.0 1.0
   56    59   -64    68  -0.47300 -1.0 2.0
   56    59   -64    68  -0.52300  1.0 3.0
   56    61    67    70  -0.82050  1.0 1.0
   56    61    67    70   0.00600 -1.0 2.0
   56    61    67    70   0.04400  1.0 3.0
   59    56    61    62   0.00000  1.0 1.0
   59    56    61    63   0.00000  1.0 1.0
   59    56    61    67   0.39000  1.0 1.0
   59    56    61    67  -0.05800 -1.0 2.0
   59    56    61    67  -0.55150  1.0 3.0
   59    64   -68    52   0.08000 -1.0 2.0
   59    64    68    69   0.17350  1.0 3.0
   59    64    68    72   0.08000 -1.0 2.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    66   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    74   0.15000  1.0 3.0
   64    68    72    54   0.47100  1.0 1.0
   65    64    68    52   0.15000  1.0 3.0
   65    64    68    69   0.13050  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   66    64    68    52   0.15000  1.0 3.0
   66    64    68    69   0.13050  1.0 3.0
   66    64    68    72   0.15000  1.0 3.0
   68    52   -56    59   0.80850  1.0 1.0
   68    52   -56    59  -0.47300 -1.0 2.0
   68    52   -56    59  -0.52300  1.0 3.0
   68    52    56    61   0.52100  1.0 1.0
   68    52    56    61  -0.20350 -1.0 2.0
   68    52    56    61   0.29750  1.0 3.0
   68    72   -54    50   1.36600  1.0 1.0
   68    72   -54    50  -0.11450 -1.0 2.0
   68    72   -54    50   0.24250  1.0 3.0
   68    72    54    55   0.19200  1.0 3.0
   68    72    54    57   1.69300  1.0 1.0
   68    72    54    57  -0.48450 -1.0 2.0
   69    68    72    73   0.13050  1.0 3.0
   69    68    72    74   0.13050  1.0 3.0
   69    68    72    54   0.17350  1.0 3.0
   72    54    57    58  -0.11600  1.0 1.0
   72    54    57    58  -0.09450 -1.0 2.0
   72    54    57    58   0.21250  1.0 3.0
   73    72    54    50   0.15000  1.0 3.0
   73    72    54    55   0.15000  1.0 3.0
   73    72    54    57   0.23400  1.0 3.0
   74    72    54    50   0.15000  1.0 3.0
   74    72    54    55   0.15000  1.0 3.0
   74    72    54    57   0.23400  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.34400  1.0 1.0
   54    50    52    56   0.09450 -1.0 2.0
   54    50    52    56   0.11100  1.0 3.0
   54    50   -52    68   1.36600  1.0 1.0
   54    50   -52    68  -0.11450 -1.0 2.0
   54    50   -52    68   0.24250  1.0 3.0
   55    54    57    58   0.19450  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    64   7.00000 -1.0 2.0
   61    67    70    71   3.00000 -1.0 2.0
   61    67    70    75   1.63150  1.0 1.0
   61    67    70    75   2.92000 -1.0 2.0
   62    61    67    70   0.08050  1.0 3.0
   63    61    67    70   0.08050  1.0 3.0
   67    70    75    76   0.36750  1.0 3.0
   67    70    75    78   0.36750  1.0 3.0
   67    70    75    82   0.30750  1.0 1.0
   67    70    75    82   1.13850 -1.0 2.0
   67    70    75    82   0.38850  1.0 3.0
   70    75    76    77  -0.11250  1.0 3.0
   70    75    76    46  -0.95700  1.0 1.0
   70    75    76    46  -0.18200 -1.0 2.0
   70    75    76    46   0.29450  1.0 3.0
   70    75    76    84  -0.95700  1.0 1.0
   70    75    76    84  -0.18200 -1.0 2.0
   70    75    76    84   0.29450  1.0 3.0
   70    75    78    79  -0.11250  1.0 3.0
   70    75    78    80  -0.11250  1.0 3.0
   70    75    78    81  -0.11250  1.0 3.0
   70    75    82    83   0.91850  1.0 1.0
   70    75    82    83   0.57950  1.0 3.0
   71    70    75    76   0.30150 -1.0 2.0
   71    70    75    78   0.30150 -1.0 2.0
   71    70    75    82   0.30150 -1.0 2.0
   75    76    46    38   0.56750  1.0 1.0
   75    76    46    38  -0.07550 -1.0 2.0
   75    76    46    38   0.20000  1.0 3.0
   75    76    46    47   0.15000  1.0 3.0
   75    76    46    48   0.15000  1.0 3.0
   75    76    84    85   0.15000  1.0 3.0
   75    76    84    86   0.15000  1.0 3.0
   75    76    84    87   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   76    75    82    83  -0.11600  1.0 1.0
   76    75    82    83  -0.09450 -1.0 2.0
   76    75    82    83   0.21250  1.0 3.0
   77    76    46    38   0.15000  1.0 3.0
   77    76    46    47   0.15000  1.0 3.0
   77    76    46    48   0.15000  1.0 3.0
   77    76    84    85   0.15000  1.0 3.0
   77    76    84    86   0.15000  1.0 3.0
   77    76    84    87   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    76    84    85   0.15000  1.0 3.0
   46    76    84    86   0.15000  1.0 3.0
   46    76    84    87   0.15000  1.0 3.0
   84    76    46    38   0.56750  1.0 1.0
   84    76    46    38  -0.07550 -1.0 2.0
   84    76    46    38   0.20000  1.0 3.0
   84    76    46    47   0.15000  1.0 3.0
   84    76    46    48   0.15000  1.0 3.0
   78    75    76    77   0.15000  1.0 3.0
   78    75    76    46   0.56750  1.0 1.0
   78    75    76    46  -0.07550 -1.0 2.0
   78    75    76    46   0.20000  1.0 3.0
   78    75    76    84   0.56750  1.0 1.0
   78    75    76    84  -0.07550 -1.0 2.0
   78    75    76    84   0.20000  1.0 3.0
   78    75    82    83  -0.11600  1.0 1.0
   78    75    82    83  -0.09450 -1.0 2.0
   78    75    82    83   0.21250  1.0 3.0
   82    75    76    77   0.23400  1.0 3.0
   82    75    76    46   0.86500  1.0 1.0
   82    75    76    46  -0.17500 -1.0 2.0
   82    75    76    46   0.20800  1.0 3.0
   82    75    76    84   0.86500  1.0 1.0
   82    75    76    84  -0.17500 -1.0 2.0
   82    75    76    84   0.20800  1.0 3.0
   82    75    78    79   0.23400  1.0 3.0
   82    75    78    80   0.23400  1.0 3.0
   82    75    78    81   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  1.0 3.0
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
   38    49    44    45  10.50000 -1.0 2.0
   52    61    56    59   1.10000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   67    75    70    71  10.50000 -1.0 2.0
END
