* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    152    226     440
    1     0 S   NP   _N1_     1    32.00109   101.68644   -24.40093
    2     1 S   H    _HN1     2     1.03395   169.57402   -80.92187
    3     1 S   H    _H1_     3     1.02835    61.46393   -71.18665
    4     1 S   H    _H2_     4     1.02699    75.95188   169.51562
    5     1 S   CT   _CA1     5     1.50041    75.85267    52.94375
    6     5 S   HC   _HA1     6     1.09377   104.94415   131.60351
    7     5 S   CO3  _C1_     7     1.53538   112.75672    11.25463
    8     7 S   O2Z  _O11     8     1.26361   115.18500   -48.71334
    9     7 S   O2Z  _O12     9     1.26282   114.93483   129.92877
   10     5 S   CT   _CB1    10     1.52708   107.22310  -111.26477
   11    10 S   HC   HB11    11     1.09725   108.96579   -46.38260
   12    10 S   HC   HB12    12     1.09820   110.69748    69.34227
   13    10 S   CT   _CG1    13     1.53265   113.18680  -168.31499
   14    13 S   HC   HG11    14     1.09505   111.18418   -88.73504
   15    13 S   HC   HG12    15     1.09565   111.29217    31.01951
   16    13 S   C    _CD1    16     1.51419   107.95439   151.69755
   17    16 S   O    _OE1    17     1.22865   121.72297    77.39771
   18    16 S   N    _N2_    18     1.38384   112.63680   -97.48104
   19    18 S   H    _HN2    19     1.01810   119.33772   -11.42596
   20    18 S   CT1  _CA2    20     1.45949   122.64120   164.45732
   21    20 S   HC   _HA2    21     1.09713   108.99237    26.47039
   22    20 S   C    _C2_    22     1.53367   108.36915   -89.33530
   23    22 S   O    _O2_    23     1.23148   120.75650   150.79800
   24    20 S   CT   _CB2    32     1.52916   111.82903   150.26470
   25    24 S   HC   HB21    33     1.09404   109.66574    50.34900
   26    24 S   HC   HB22    34     1.09543   110.37844   168.91505
   27    22 S   N    _N3_    24     1.38511   114.68298   -36.36816
   28    27 S   H    _HN3    25     1.01527   118.95073     3.80478
   29    24 S   S    _SG2    35     1.83104   110.26472   -71.93617
   30    27 S   CT   _CA3    26     1.45500   123.69319   179.85598
   31    30 S   HC   HA31    27     1.09482   109.93687    11.64265
   32    30 S   HC   HA32    28     1.09464   107.21406   128.63347
   33    29 S   CT   _C23    36     1.85934   101.43608   154.48433
   34    33 S   OM   _O39    37     1.31840   108.96060    61.11847
   35    30 S   CO3  _C3_    29     1.52855   112.26472  -111.80377
   36    35 S   O2Z  _O31    30     1.26592   115.26330   -64.28572
   37    35 S   O2Z  _O32    31     1.26229   115.45465   115.97819
   38    33 S   CM   _C22    38     1.52510   111.13728   -60.01296
   39    38 S   HC   _H20    39     1.09331   114.76649   126.00485
   40    33 S   S    _S1_    82     1.86208   107.22067   179.11023
   41    38 S   CMA  _C21    40     1.35865   129.33963   -53.43017
   42    41 S   OM   _O40    41     1.26275   132.35155    -1.55494
   43    40 S   CT   _C24    83     1.81510   101.50967   176.46942
   44    43 S   HC   _H21    84     1.09375   108.46981   178.09033
   45    43 S   HC   _H22    85     1.09274   111.27460    59.52373
   46    43 S   HC   _H23    86     1.09256   111.17778   -63.49517
   47    41 S   CT   _C20    42     1.52395   116.35460  -179.64064
   48    47 S   HC   _H18    43     1.09857   110.20652    28.32868
   49    47 S   HC   _H19    44     1.09920   111.86448   145.92132
   50    47 S   CO4  _C19    45     1.53209   113.30313   -91.62154
   51    50 S   O    _O38    46     1.23135   123.24591    -4.16194
   52    50 S   CT   _C18    47     1.52747   114.41393   175.12034
   53    52 S   HC   _H16    48     1.09438   108.11204   -61.61010
   54    52 S   HC   _H17    49     1.09619   108.40364    53.62217
   55    52 S   CM   _C9_    50     1.51075   111.93331   174.87371
   56    55 S   CM   _C8_    51     1.34669   124.49687    92.15025
   57    56 S   CT   _C17    52     1.50246   124.85769  -179.62938
   58    57 S   HC   _H3_    53     1.09745   107.76763  -121.77104
   59    56 S   CO4  _C7_    71     1.49090   118.91150     0.46394
   60    59 S   O    _O34    72     1.22903   119.92519    87.89948
   61    57 S   CA   _C16    54     1.51618   114.93112    -1.57197
   62    57 S   OH   _O35    69     1.42845   107.71497   122.58823
   63    62 S   HO   _H13    70     0.97505   109.07440  -102.25921
   64    59 S   CT   _C6_    73     1.51189   117.15463   -94.03346
   65    64 S   HC   _H7_    74     1.09427   109.80719    10.05103
   66    64 S   HC   _H8_    75     1.09519   107.35725  -107.65798
   67    61 S   CA   _C11    55     1.40644   120.87296     1.34901
   68    64 S   CO4  _C5_    76     1.51196   114.88665   131.09381
   69    68 S   O    _O33    77     1.22994   122.77202    -9.70377
   70    67 S   CA   _C12    56     1.40589   119.83602  -179.96044
   71    70 S   HA   _H11    57     1.08790   119.59596  -179.57433
   72    55 S   CT   _C10    66     1.50847   114.36546   -88.07597
   73    72 S   HC   _H9_    67     1.09675   108.60068    58.54058
   74    72 S   HC   _H10    68     1.09792   108.18277   -58.17916
   75    68 S   CT   _C4_    78     1.50623   116.18038   170.90199
   76    75 S   HC   _H4_    79     1.09240   109.70178    54.05017
   77    75 S   HC   _H5_    80     1.09262   109.47758   -66.83488
   78    75 S   HC   _H6_    81     1.09338   109.73826   173.45572
   79    70 S   CA   _C13    58     1.39184   120.27272     0.12033
   80    79 S   CA   _C14    59     1.38834   120.67865     0.48011
   81    80 S   HA   _H12    60     1.08614   119.96260   179.60683
   82    79 S   OH   _O37    64     1.36573   121.03441  -179.18843
   83    82 S   HO   _H15    65     0.97293   108.68697     0.31216
   84    61 S   CA   _C15    61     1.40692   120.59948  -177.75058
   85    84 S   OH   _O36    62     1.37008   118.97898     0.32082
   86    85 S   HO   _H14    63     0.97226   108.95396  -179.41650
  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   7   5   4   3
  11   5   2   1   1   9   4   5   7   4   3   2   1   1   8   4
   3   7   4  10   4   3  13  16  13   6  10   4  14   3   1   8
   4   3  10   5   4  10   4   4   1   1   3   2   1   1   6   6
   3   2   1   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    41    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47    40    43    44    45    46  
   38    39    41    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49    50    40    43  
   41    42    47    40  
   43    44    45    46    41  
   42    47    48    49    50    51    52  
   47    48    49    50  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    72  
   52    53    54    55  
   53    54    55    56    57    67    72    73    74    59  
   54    55    56    72  
   55    56    72  
   56    57    58    61    67    70    72    73    74    62    59    60    64  
   57    58    61    67    84    72    73    74    62    63    59    60    64    65    66    68  
   58    61    67    70    80    84    85    72    62    63    59    60    64  
   61    67    84    62    63    59  
   60    64    65    66    68    69    75    61    62    72  
   64    65    66    68  
   67    70    71    79    80    81    84    85    86    72    73    74    62    63  
   63    67    84  
    0  
   65    66    68    69    75    76    77    78  
   66    68    69    75  
   68    69    75  
   70    71    79    80    84    85    82    72    73    74  
   69    75    76    77    78  
   75    76    77    78  
   71    79    80    81    84    82    83    72    73    74  
   79    80    82    72  
   73    74    79    84  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81    84    85    82    83  
   81    84    85    86    82    83  
   84    85    82  
   83    84  
    0  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    40   222.000  1.810
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.522
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.510
   55    56   549.000  1.340
   55    72   317.000  1.510
   56    57   317.000  1.510
   56    59   320.000  1.462
   57    58   340.000  1.090
   57    61   317.000  1.510
   57    62   320.000  1.410
   61    67   469.000  1.400
   61    84   469.000  1.400
   67    70   469.000  1.400
   67    72   317.000  1.510
   70    71   367.000  1.080
   70    79   469.000  1.400
   79    80   469.000  1.400
   79    82   450.000  1.364
   80    81   367.000  1.080
   80    84   469.000  1.400
   84    85   450.000  1.364
   85    86   553.000  0.945
   82    83   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   62    63   553.000  0.945
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.522
   68    69   570.000  1.229
   68    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  118.28000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    62.00000   98.90000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    47    48    45.00000  110.52000
   41    47    49    45.00000  110.52000
   41    47    50    70.00000  109.06800
   47    41    42    85.00000  112.85300
   47    50    51    80.00000  120.40000
   47    50    52    70.00000  116.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    70.00000  109.06800
   52    50    51    80.00000  120.40000
   52    55    56    70.00000  124.00000
   52    55    72    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    70.00000  124.00000
   55    56    59    65.00000  118.96000
   55    72    67    70.00000  112.99600
   55    72    73    35.00000  109.50000
   55    72    74    35.00000  109.50000
   56    57    58    35.00000  109.50000
   56    57    61    70.00000  112.99600
   56    57    62    90.00000  110.39200
   56    59    60    80.00000  123.72100
   56    59    64    65.00000  118.62400
   57    61    67    70.00000  120.00000
   57    61    84    70.00000  120.00000
   57    62    63    55.00000  108.50000
   61    57    58    35.00000  109.50000
   61    67    70    63.00000  120.00000
   61    67    72    70.00000  120.00000
   61    84    80    63.00000  120.00000
   61    84    85    70.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    79    63.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   70    79    80    63.00000  120.00000
   70    79    82    70.00000  120.00000
   79    70    71    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    84    63.00000  120.00000
   79    82    83    35.00000  113.00000
   80    84    85    70.00000  120.00000
   84    61    67    63.00000  120.00000
   84    80    81    35.00000  120.00000
   84    85    86    35.00000  113.00000
   82    79    80    70.00000  120.00000
   72    55    56    70.00000  124.00000
   72    67    70    70.00000  120.00000
   74    72    73    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    61    90.00000  112.51600
   59    56    57    65.00000  116.34900
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    75.00000  107.99600
   64    59    60    80.00000  120.40000
   64    68    69    80.00000  120.40000
   64    68    75    70.00000  116.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   75    68    69    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  112.20000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    46   0.32350  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    40    43   0.13850  1.0 1.0
   34    33    40    43  -1.34450 -1.0 2.0
   34    33    40    43   0.57400  1.0 3.0
   38    33    40    43  -0.62250  1.0 1.0
   38    33    40    43  -0.38450 -1.0 2.0
   38    33    40    43   0.81900  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    50  -0.51250  1.0 1.0
   38    41    47    50  -0.88800 -1.0 2.0
   38    41    47    50   0.08850  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    50    51   0.30150 -1.0 2.0
   41    47    50    52   0.65300  1.0 1.0
   41    47    50    52  -0.03850 -1.0 2.0
   41    47    50    52   0.33900  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.09700  1.0 1.0
   42    41    47    50   0.15600 -1.0 2.0
   42    41    47    50  -0.50800  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    52    55   0.65300  1.0 1.0
   47    50    52    55  -0.03850 -1.0 2.0
   47    50    52    55   0.33900  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    55    56  -0.51250  1.0 1.0
   50    52    55    56  -0.88800 -1.0 2.0
   50    52    55    56   0.08850  1.0 3.0
   50    52    55    72   0.17250  1.0 1.0
   50    52    55    72  -0.04100 -1.0 2.0
   50    52    55    72  -0.33850  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   0.30150 -1.0 2.0
   52    55    56    57   7.00000 -1.0 2.0
   52    55    56    59   7.00000 -1.0 2.0
   52    55    72    67   0.09700  1.0 1.0
   52    55    72    67   0.15600 -1.0 2.0
   52    55    72    67  -0.50800  1.0 3.0
   52    55    72    73   0.34800  1.0 3.0
   52    55    72    74   0.34800  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    72   0.34800  1.0 3.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    72   0.34800  1.0 3.0
   55    56    57    58   0.00000  1.0 1.0
   55    56    57    61   1.44450  1.0 1.0
   55    56    57    61   0.06600 -1.0 2.0
   55    56    57    61   0.29250  1.0 3.0
   55    56    57    62   0.67800  1.0 1.0
   55    56    57    62   0.47050 -1.0 2.0
   55    56    57    62  -0.62500  1.0 3.0
   55    56    59    60   1.00000 -1.0 2.0
   55    56    59    64  -0.33500  1.0 1.0
   55    56    59    64   1.06600 -1.0 2.0
   55    56    59    64  -0.14000  1.0 3.0
   56    55    72    67   1.44450  1.0 1.0
   56    55    72    67   0.06600 -1.0 2.0
   56    55    72    67   0.29250  1.0 3.0
   56    55    72    73   0.00000  1.0 1.0
   56    55    72    74   0.00000  1.0 1.0
   56    57   -61    67   0.18050 -1.0 2.0
   56    57    61    84   0.18050 -1.0 2.0
   56    57    62    63  -0.07800  1.0 1.0
   56    57    62    63  -0.21500 -1.0 2.0
   56    57    62    63  -0.03150  1.0 3.0
   56    59    64    65   0.00000  1.0 1.0
   56    59    64    66   0.00000  1.0 1.0
   56    59    64    68   0.65300  1.0 1.0
   56    59    64    68  -0.03850 -1.0 2.0
   56    59    64    68   0.33900  1.0 3.0
   57    56    59    60  -0.64400  1.0 1.0
   57    56    59    60   0.26850 -1.0 2.0
   57    56    59    64   0.25700  1.0 1.0
   57    56    59    64   0.66200 -1.0 2.0
   57    56    59    64   0.04450  1.0 3.0
   57    61    67    70   3.62500 -1.0 2.0
   57    61    67    72   3.62500 -1.0 2.0
   57    61    84    80   3.62500 -1.0 2.0
   57    61    84    85   3.62500 -1.0 2.0
   58    57    61    67   0.00000  1.0 1.0
   58    57    61    84   0.00000  1.0 1.0
   58    57    62    63   0.19450  1.0 3.0
   61    57    62    63   0.31900  1.0 1.0
   61    57    62    63  -0.11800 -1.0 2.0
   61    57    62    63   0.38750  1.0 3.0
   61    67    70    71   3.62500 -1.0 2.0
   61    67    70    79   3.62500 -1.0 2.0
   61    67   -72    55   0.18050 -1.0 2.0
   61    67    72    73   0.00000  1.0 1.0
   61    67    72    74   0.00000  1.0 1.0
   61    84    85    86   0.84100 -1.0 2.0
   67    61    84    80   3.62500 -1.0 2.0
   67    61    84    85   3.62500 -1.0 2.0
   67    70   -79    80   3.62500 -1.0 2.0
   67    70    79    82   3.62500 -1.0 2.0
   70    67    72    55   0.18050 -1.0 2.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    79    80    81   3.62500 -1.0 2.0
   70    79    80    84   3.62500 -1.0 2.0
   70    79    82    83   0.84100 -1.0 2.0
   71    70    79    80   3.62500 -1.0 2.0
   71    70    79    82   3.62500 -1.0 2.0
   79    80   -84    61   3.62500 -1.0 2.0
   79    80    84    85   3.62500 -1.0 2.0
   80    79    82    83   0.84100 -1.0 2.0
   80    84    85    86   0.84100 -1.0 2.0
   81    80    84    61   3.62500 -1.0 2.0
   81    80    84    85   3.62500 -1.0 2.0
   84    61   -67    70   3.62500 -1.0 2.0
   84    61    67    72   3.62500 -1.0 2.0
   82    79    80    81   3.62500 -1.0 2.0
   82    79    80    84   3.62500 -1.0 2.0
   72    55   -56    57   7.00000 -1.0 2.0
   72    55    56    59   7.00000 -1.0 2.0
   72    67    70    71   3.62500 -1.0 2.0
   72    67    70    79   3.62500 -1.0 2.0
   62    57    61    67   0.14300 -1.0 2.0
   62    57    61    67   0.00300  1.0 3.0
   62    57    61    84   0.14300 -1.0 2.0
   62    57    61    84   0.00300  1.0 3.0
   59    56    57    58   0.15000  1.0 3.0
   59    56    57    61   0.09700  1.0 1.0
   59    56    57    61   0.15600 -1.0 2.0
   59    56    57    61  -0.50800  1.0 3.0
   59    56    57    62   0.09700  1.0 1.0
   59    56    57    62   0.15600 -1.0 2.0
   59    56    57    62  -0.50800  1.0 3.0
   59    64    68    69   0.30150 -1.0 2.0
   59    64    68    75   0.65300  1.0 1.0
   59    64    68    75  -0.03850 -1.0 2.0
   59    64    68    75   0.33900  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    68   0.30150 -1.0 2.0
   64    68    75    76   0.00000  1.0 1.0
   64    68    75    77   0.00000  1.0 1.0
   64    68    75    78   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    75   0.00000  1.0 1.0
   66    64    68    69   0.00000  1.0 1.0
   66    64    68    75   0.00000  1.0 1.0
   69    68    75    76   0.00000  1.0 1.0
   69    68    75    77   0.00000  1.0 1.0
   69    68    75    78   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.42700  1.0 1.0
   40    33    38    41  -0.70350 -1.0 2.0
   40    33    38    41  -0.43150  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
   33    39    38    41  15.00000 -1.0 2.0
   47    42    41    38  15.00000 -1.0 2.0
   47    52    50    51  10.50000 -1.0 2.0
   52    72    55    56   1.10000 -1.0 2.0
   59    57    56    55   1.10000 -1.0 2.0
   67    84    61    57   4.00000 -1.0 2.0
   70    72    67    61   4.00000 -1.0 2.0
   79    71    70    67   1.10000 -1.0 2.0
   80    82    79    70   4.00000 -1.0 2.0
   84    81    80    79   1.10000 -1.0 2.0
   80    85    84    61   4.00000 -1.0 2.0
   56    64    59    60  10.50000 -1.0 2.0
   64    75    68    69  10.50000 -1.0 2.0
END
