* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    151    223     440
    1     0 S   NP   _N1_     1    28.34099    93.77348   -18.13775
    2     1 S   H    _HN1     2     1.02770    75.52473   -87.28626
    3     1 S   H    _H1_     3     1.03068    98.72417    19.52135
    4     1 S   H    _H2_     4     1.02809    38.42314   126.03611
    5     1 S   CT   _CA1     5     1.50055   144.31995   164.41907
    6     5 S   HC   _HA1     6     1.09572   105.25144    33.84379
    7     5 S   CO3  _C1_     7     1.53783   112.29480   -86.36706
    8     7 S   O2Z  _O11     8     1.26349   115.02871   -44.30789
    9     7 S   O2Z  _O12     9     1.26230   114.91786   134.78681
   10     5 S   CT   _CB1    10     1.52976   107.30007   151.66256
   11    10 S   HC   HB11    11     1.09821   109.31970   -50.43575
   12    10 S   HC   HB12    12     1.09756   110.40812    66.09666
   13    10 S   CT   _CG1    13     1.52976   112.86108  -171.73065
   14    13 S   HC   HG11    14     1.09590   110.31724   -62.17712
   15    13 S   HC   HG12    15     1.09615   110.25421    57.18578
   16    13 S   C    _CD1    16     1.51773   111.82432   177.26792
   17    16 S   O    _OE1    17     1.22782   123.01271   -11.58255
   18    16 S   N    _N2_    18     1.38385   111.91133   168.55335
   19    18 S   H    _HN2    19     1.01575   118.96136     5.51452
   20    18 S   CT1  _CA2    20     1.45949   123.35722  -179.67555
   21    20 S   HC   _HA2    21     1.09583   109.09920    14.05793
   22    20 S   C    _C2_    22     1.52784   107.19841  -102.80487
   23    22 S   O    _O2_    23     1.22963   123.06866   -25.07715
   24    20 S   CT   _CB2    32     1.53155   111.66843   137.13075
   25    24 S   HC   HB21    33     1.09643   109.93531    54.80710
   26    24 S   HC   HB22    34     1.09540   111.65825   172.91105
   27    22 S   N    _N3_    24     1.38493   112.49583   157.53965
   28    27 S   H    _HN3    25     1.01664   120.35350    -2.22026
   29    24 S   S    _SG2    35     1.82474   112.04161   -64.23502
   30    27 S   CT   _CA3    26     1.45355   122.51009   178.61210
   31    30 S   HC   HA31    27     1.09566   107.82275   -55.44524
   32    30 S   HC   HA32    28     1.09560   107.60959    60.90316
   33    29 S   CT   _C20    36     1.82289    99.50388   -84.78384
   34    33 S   HC   _H24    37     1.09545   107.90516   -72.02868
   35    33 S   HC   _H25    38     1.09288   111.04758    44.11980
   36    30 S   CO3  _C3_    29     1.52892   114.28775  -177.37326
   37    36 S   O2Z  _O31    30     1.26339   116.04244    -0.66998
   38    36 S   O2Z  _O32    31     1.26431   114.41833   179.30170
   39    33 S   CM   _C19    39     1.50079   110.04213   166.86713
   40    39 S   CMA  _C18    40     1.35229   126.48412    90.10541
   41    40 S   OM   _O36    41     1.26318   128.16391    -2.10747
   42    40 S   OS   _O35    42     1.42066   109.60493   176.78442
   43    42 S   CT   _C8_    43     1.44307   106.22706    15.66530
   44    43 S   HC   _H6_    44     1.09562   106.34082  -145.64895
   45    43 S   CT   _C9_    45     1.53327   108.15523    97.03510
   46    45 S   HC   _H10    46     1.10009   106.00158    43.33247
   47    45 S   HC   _H11    47     1.09799   111.16968   -69.55517
   48    39 S   CT   _C7_    54     1.50724   122.56148   -96.73984
   49    48 S   HC   _H5_    55     1.09989   105.57318   -79.23757
   50    45 S   CM   _C10    48     1.51753   117.39526   164.06566
   51    50 S   CM   _C11    49     1.35763   126.14925    32.89015
   52    50 S   CT   _C17    78     1.51656   110.80576  -147.59320
   53    52 S   HC   _H21    79     1.09622   109.89880   -46.79559
   54    52 S   HC   _H22    80     1.09156   114.36537  -165.71919
   55    52 S   HC   _H23    81     1.09498   109.99513    72.39066
   56    51 S   CT   _C5_    50     1.53221   125.75600     5.79647
   57    56 S   HC   _H3_    51     1.10064   105.86145   140.45594
   58    51 S   CT   _C12    62     1.52858   121.31681  -175.75647
   59    58 S   HC   _H12    63     1.09623   110.03778   147.17216
   60    58 S   HC   _H13    64     1.09649   110.42271    33.07298
   61    56 S   CT   _C6_    52     1.54955   116.10007    25.14878
   62    61 S   HC   _H4_    53     1.09655   109.48134    47.10690
   63    56 S   CT   _C4_    58     1.53916   111.75141  -105.61869
   64    63 S   HC   _H7_    59     1.09334   112.26306    58.28454
   65    63 S   HC   _H8_    60     1.09479   111.38841   -61.75899
   66    63 S   HC   _H9_    61     1.09513   111.13880   179.34718
   67    58 S   CT   _C13    65     1.53066   112.87245   -90.97016
   68    67 S   HC   _H14    66     1.09631   110.52483   -64.30398
   69    67 S   HC   _H15    67     1.09691   110.94907    52.65988
   70    61 S   OH   _O37    56     1.43519   107.33410   162.51121
   71    70 S   HO   _H26    57     0.97406   107.72804   -68.20370
   72    67 S   CT   _C14    68     1.52538   111.13973   174.28351
   73    72 S   HC   _H16    69     1.09574   110.41075    61.60794
   74    72 S   HC   _H17    70     1.09648   109.84821   -59.18933
   75    72 S   OS   _O33    71     1.43684   108.61057  -179.25612
   76    75 S   CO4  _C15    72     1.36398   115.18508   168.35757
   77    76 S   O    _O34    73     1.22352   126.24291     2.69711
   78    76 S   CT   _C16    74     1.49832   109.83058  -178.61945
   79    78 S   HC   _H18    75     1.09224   109.70211   -75.15022
   80    78 S   HC   _H19    76     1.09376   109.29631   165.11649
   81    78 S   HC   _H20    77     1.09340   110.10137    46.73593
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5   4  10
   4  13  20   5   2   1   1  13   8  11   5   4   7   3   4   2
   1   1   7   5   4   1   1   6   3   2   6   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    61    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    56    61    62    48    49    70  
   41    42    43    44    45    61    48    49  
   42    43    48  
   43    44    45    46    47    50    61    48    49  
   44    45    46    47    50    51    56    61    62    48    49    70    52  
   45    46    47    50    61    48    49  
   46    47    50    51    56    61    48    49    58    52    53    54    55  
   47    50    51    48    52  
   50    51    48    52  
   49    70    71    63    50    51    56    57    61    62  
   70    56    61    62  
   51    56    57    61    63    58    59    60    67    52    53    54    55  
   56    57    61    62    70    63    64    65    66    58    59    60    67    68    69    72    52    53    54    55  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    61    62    70    71    63    64    65    66    58    59    60    67  
   61    62    70    63    64    65    66    58  
   59    60    67    68    69    72    73    74    75    61    63  
   60    67    68    69    72  
   67    68    69    72  
   62    70    71    63    64    65    66  
   70    71    63  
   64    65    66    70  
   65    66  
   66  
    0  
   68    69    72    73    74    75    76  
   69    72    73    74    75  
   72    73    74    75  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   549.000  1.340
   50    52   317.000  1.510
   51    56   317.000  1.510
   51    58   317.000  1.510
   56    57   340.000  1.090
   56    61   268.000  1.529
   56    63   268.000  1.529
   61    62   340.000  1.090
   61    48   268.000  1.529
   61    70   320.000  1.410
   48    49   340.000  1.090
   70    71   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.410
   75    76   214.000  1.327
   76    77   570.000  1.229
   76    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    61    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    70.00000  112.02700
   43    48    61    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    70.00000  124.00000
   45    50    52    65.00000  117.92700
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    51    56    70.00000  124.00000
   50    51    58    70.00000  124.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    56    57    35.00000  109.50000
   51    56    61    70.00000  112.02700
   51    56    63    70.00000  112.02700
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    67    70.00000  112.02700
   56    61    62    37.50000  110.70000
   56    61    48    58.35000  112.70000
   56    61    70    50.00000  109.50000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   61    56    57    37.50000  110.70000
   61    48    49    37.50000  110.70000
   61    70    71    55.00000  108.50000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    61    62    37.50000  110.70000
   70    61    62    35.00000  109.50000
   70    61    48    50.00000  109.50000
   63    56    57    37.50000  110.70000
   63    56    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   58    51    56    65.00000  117.92700
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    50.00000  109.50000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    83.00000  116.90000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    76    77    83.00000  123.40000
   75    76    78    81.00000  111.40000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    35.00000  109.50000
   78    76    77    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   52    50    51    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    61   0.46850  1.0 1.0
   33    39    48    61   0.08550 -1.0 2.0
   33    39    48    61   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    61   0.09850  1.0 1.0
   40    39    48    61   0.15250 -1.0 2.0
   40    39    48    61  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.61850  1.0 1.0
   42    43    45    50  -0.22750 -1.0 2.0
   42    43    45    50   0.15300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    61   0.62750  1.0 1.0
   42    43    48    61  -0.30950 -1.0 2.0
   42    43    48    61   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.09850  1.0 1.0
   43    45    50    51   0.15250 -1.0 2.0
   43    45    50    51  -0.50650  1.0 3.0
   43    45    50    52   0.46850  1.0 1.0
   43    45    50    52   0.08550 -1.0 2.0
   43    45    50    52   0.09800  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    61   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    61   0.56750  1.0 1.0
   45    43    48    61  -0.07550 -1.0 2.0
   45    43    48    61   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    56   7.00000 -1.0 2.0
   45    50    51    58   7.00000 -1.0 2.0
   45    50    52    53   0.34800  1.0 3.0
   45    50    52    54   0.34800  1.0 3.0
   45    50    52    55   0.34800  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52   0.34800  1.0 3.0
   47    45    50    51   0.00000  1.0 1.0
   47    45    50    52   0.34800  1.0 3.0
   50    51    56    57   0.00000  1.0 1.0
   50    51    56    61   0.09850  1.0 1.0
   50    51    56    61   0.15250 -1.0 2.0
   50    51    56    61  -0.50650  1.0 3.0
   50    51    56    63   0.09850  1.0 1.0
   50    51    56    63   0.15250 -1.0 2.0
   50    51    56    63  -0.50650  1.0 3.0
   50    51    58    59   0.00000  1.0 1.0
   50    51    58    60   0.00000  1.0 1.0
   50    51    58    67   0.09850  1.0 1.0
   50    51    58    67   0.15250 -1.0 2.0
   50    51    58    67  -0.50650  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    48   0.34400  1.0 1.0
   51    56    61    48   0.09450 -1.0 2.0
   51    56    61    48   0.11100  1.0 3.0
   51    56    61    70   1.05650  1.0 1.0
   51    56    61    70   0.15600 -1.0 2.0
   51    56    61    70   0.53150  1.0 3.0
   51    56    63    64   0.15000  1.0 3.0
   51    56    63    65   0.15000  1.0 3.0
   51    56    63    66   0.15000  1.0 3.0
   51    58    67    68   0.15000  1.0 3.0
   51    58    67    69   0.15000  1.0 3.0
   51    58    67    72   0.34400  1.0 1.0
   51    58    67    72   0.09450 -1.0 2.0
   51    58    67    72   0.11100  1.0 3.0
   56    51    58    59   0.34800  1.0 3.0
   56    51    58    60   0.34800  1.0 3.0
   56    51    58    67   0.46850  1.0 1.0
   56    51    58    67   0.08550 -1.0 2.0
   56    51    58    67   0.09800  1.0 3.0
   56    61    48    39   0.34400  1.0 1.0
   56    61    48    39   0.09450 -1.0 2.0
   56    61    48    39   0.11100  1.0 3.0
   56    61    48    43   0.56750  1.0 1.0
   56    61    48    43  -0.07550 -1.0 2.0
   56    61    48    43   0.20000  1.0 3.0
   56    61    48    49   0.15000  1.0 3.0
   56    61    70    71  -0.11600  1.0 1.0
   56    61    70    71  -0.09450 -1.0 2.0
   56    61    70    71   0.21250  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    48   0.15000  1.0 3.0
   57    56    61    70   0.23400  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   61    56    63    64   0.15000  1.0 3.0
   61    56    63    65   0.15000  1.0 3.0
   61    56    63    66   0.15000  1.0 3.0
   62    61    48    39   0.15000  1.0 3.0
   62    61    48    43   0.15000  1.0 3.0
   62    61    48    49   0.15000  1.0 3.0
   62    61    70    71   0.19450  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.34400  1.0 1.0
   48    43    45    50   0.09450 -1.0 2.0
   48    43    45    50   0.11100  1.0 3.0
   48    61    70    71  -0.11600  1.0 1.0
   48    61    70    71  -0.09450 -1.0 2.0
   48    61    70    71   0.21250  1.0 3.0
   70    61    48    39   1.05650  1.0 1.0
   70    61    48    39   0.15600 -1.0 2.0
   70    61    48    39   0.53150  1.0 3.0
   70    61    48    43   0.86500  1.0 1.0
   70    61    48    43  -0.17500 -1.0 2.0
   70    61    48    43   0.20800  1.0 3.0
   70    61    48    49   0.23400  1.0 3.0
   63    56    61    62   0.15000  1.0 3.0
   63    56    61    48   0.56750  1.0 1.0
   63    56    61    48  -0.07550 -1.0 2.0
   63    56    61    48   0.20000  1.0 3.0
   63    56    61    70   0.86500  1.0 1.0
   63    56    61    70  -0.17500 -1.0 2.0
   63    56    61    70   0.20800  1.0 3.0
   58    51    56    57   0.34800  1.0 3.0
   58    51    56    61   0.46850  1.0 1.0
   58    51    56    61   0.08550 -1.0 2.0
   58    51    56    61   0.09800  1.0 3.0
   58    51    56    63   0.46850  1.0 1.0
   58    51    56    63   0.08550 -1.0 2.0
   58    51    56    63   0.09800  1.0 3.0
   58    67    72    73   0.15000  1.0 3.0
   58    67    72    74   0.15000  1.0 3.0
   58    67    72    75   0.62750  1.0 1.0
   58    67    72    75  -0.30950 -1.0 2.0
   58    67    72    75   0.27300  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    72   0.15000  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    72   0.15000  1.0 3.0
   67    72    75    76  -0.25900  1.0 1.0
   67    72    75    76  -0.47000 -1.0 2.0
   67    72    75    76   0.11750  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.23400  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.23400  1.0 3.0
   72    75    76    77   3.00000 -1.0 2.0
   72    75    76    78   1.63150  1.0 1.0
   72    75    76    78   2.92000 -1.0 2.0
   73    72    75    76   0.08050  1.0 3.0
   74    72    75    76   0.08050  1.0 3.0
   75    76    78    79   0.00000  1.0 1.0
   75    76    78    80   0.00000  1.0 1.0
   75    76    78    81   0.00000  1.0 1.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    81   0.00000  1.0 1.0
   52    50    51    56   7.00000 -1.0 2.0
   52    50    51    58   7.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    52    50    51   1.10000 -1.0 2.0
   56    58    51    50   1.10000 -1.0 2.0
   75    78    76    77  10.50000 -1.0 2.0
END
