* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    155    251     457
    1     0 S   NP   _N1_     1    28.91739    97.40588   -22.05730
    2     1 S   H    _HN1     2     1.02830    46.99024   166.97870
    3     1 S   H    _H1_     3     1.02789    94.45264   -82.65546
    4     1 S   H    _H2_     4     1.02950    69.22114    25.26343
    5     1 S   CT   _CA1     5     1.50119   151.03870   120.17279
    6     5 S   HC   _HA1     6     1.09578   105.19244    94.11546
    7     5 S   CO3  _C1_     7     1.53741   112.28988   -26.04487
    8     7 S   O2Z  _O11     8     1.26370   115.03356   -46.88759
    9     7 S   O2Z  _O12     9     1.26243   114.96685   132.08054
   10     5 S   CT   _CB1    10     1.53072   107.38163  -148.05408
   11    10 S   HC   HB11    11     1.09832   109.29824   -50.45957
   12    10 S   HC   HB12    12     1.09810   110.52668    66.12949
   13    10 S   CT   _CG1    13     1.52969   112.58835  -171.45192
   14    13 S   HC   HG11    14     1.09556   110.57253   -66.01990
   15    13 S   HC   HG12    15     1.09669   109.82923    53.18044
   16    13 S   C    _CD1    16     1.51824   112.21797   173.55010
   17    16 S   O    _OE1    17     1.22727   123.28121     5.43257
   18    16 S   N    _N2_    18     1.38609   111.64199  -174.53083
   19    18 S   H    _HN2    19     1.01578   118.92495     1.26408
   20    18 S   CT1  _CA2    20     1.46309   123.49285   177.59141
   21    20 S   HC   _HA2    21     1.09733   109.43596    -0.46055
   22    20 S   C    _C2_    22     1.53507   108.32298  -115.89610
   23    22 S   O    _O2_    23     1.23037   122.42836  -147.06320
   24    20 S   CT   _CB2    32     1.53267   111.37932   121.69560
   25    24 S   HC   HB21    33     1.09574   109.76058    54.97269
   26    24 S   HC   HB22    34     1.09462   110.46563   174.09794
   27    22 S   N    _N3_    24     1.38383   113.55866    40.36585
   28    27 S   H    _HN3    25     1.01599   119.52135    -3.32472
   29    24 S   S    _SG2    35     1.82727   111.17712   -66.10980
   30    27 S   CT   _CA3    26     1.45275   123.19374   177.12465
   31    30 S   HC   HA31    27     1.09549   107.51708   -64.43004
   32    30 S   HC   HA32    28     1.09557   107.97309    51.99911
   33    29 S   CT   _C20    36     1.87617    99.74615   160.58995
   34    33 S   HC   _H7_    37     1.09944   105.16264   -47.41905
   35    30 S   CO3  _C3_    29     1.52951   114.09753   174.00439
   36    35 S   O2Z  _O31    30     1.26371   116.07202    -0.29541
   37    35 S   O2Z  _O32    31     1.26428   114.41020   179.75934
   38    33 S   CT   _C19    38     1.58153   110.82880    65.67249
   39    38 S   OM   _O36    39     1.32528   111.95429    53.61375
   40    38 S   HC   _H6_    40     1.10171   103.94451   -74.50401
   41    38 S   CT   _C18    41     1.55090   111.41957   173.19672
   42    41 S   HC   _H5_    42     1.09874   111.22075  -175.84612
   43    41 S   CT   _C17    43     1.52767   112.67811   -53.20503
   44    43 S   HC   _H20    44     1.09543   110.40942   -65.77606
   45    43 S   HC   _H21    45     1.09779   109.39472   177.53939
   46    41 S   OH   _O37    77     1.43162   109.36033    67.01786
   47    46 S   HO   _H22    78     0.97275   107.11489    60.97957
   48    43 S   CT   _C16    46     1.52182   110.01248    58.55172
   49    48 S   HC   _H4_    47     1.09949   107.93080    74.03758
   50    33 S   CT   _C12    48     1.57817   112.45676  -161.44386
   51    48 S   NP   _N4_    59     1.51918   109.87317  -168.83674
   52    51 S   H    _H3_    60     1.02875   111.22379   -37.24894
   53    50 S   CA   _C7_    49     1.57055   115.94351    73.84072
   54    51 S   CT   _C14    61     1.51293   105.91741    82.38401
   55    54 S   HC   _H16    62     1.09466   107.07661   -91.94741
   56    54 S   HC   _H17    63     1.09414   109.76512   149.61092
   57    53 S   CA   _C8_    50     1.40060   123.15507   -18.94667
   58    57 S   HA   _H11    51     1.08018   123.29510     2.59887
   59    50 S   CT   _C13    64     1.55314   113.59793   -50.95582
   60    59 S   HC   _H14    65     1.09692   112.33980    93.36283
   61    59 S   HC   _H15    66     1.09319   113.05704   -26.82215
   62    57 S   CA   _C9_    52     1.38248   119.08116  -178.00257
   63    62 S   CA   _C10    53     1.37639   122.91996    -0.74336
   64    63 S   CA   _C5_    54     1.38153   120.97856    -0.47724
   65    63 S   OS   _O34    72     1.36211   111.13567  -179.63738
   66    53 S   CA   _C6_    55     1.43850   119.06241   161.43840
   67    64 S   OS   _O33    67     1.36714   127.11420  -178.64954
   68    65 S   CO   _C11    73     1.43886   101.99650    -1.07064
   69    68 S   HC   _H12    74     1.09535   108.54690  -119.27739
   70    68 S   HC   _H13    75     1.09583   108.73336   122.59986
   71    66 S   CT   _C15    56     1.51660   119.64652    -5.16566
   72    71 S   HC   _H18    57     1.09549   111.79366   128.39578
   73    71 S   HC   _H19    58     1.09643   109.52039  -110.88743
   74    67 S   CT   _C4_    68     1.42049   118.39581    -2.07660
   75    74 S   HC   _H8_    69     1.09449   107.61221  -178.69464
   76    74 S   HC   _H9_    70     1.09449   111.15899    63.98987
   77    74 S   HC   _H10    71     1.09459   111.25711   -61.31412
   78    62 S   OS   _O35    76     1.36310   124.21536   179.58129
  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
  19   8   2   1   1  13   6   5  10   6  13   6   5   2   1  16
   7  15  13   8  15   9   5   4  10   4   4   1   1   9  10  12
   6   5   5   3   2   1   2   1   1   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    50    53    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    53    57    66    51    54    59    60    61    46  
   38    39    40    41    48    50    53    59  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    50    53    59    46    47  
   40    41    42    43    50    46  
   41    42    43    50    46  
   42    43    44    45    48    49    50    51    46    47  
   43    44    45    48    46    47  
   44    45    48    49    50    53    71    51    52    54    59    46    47  
   45    48    49    50    51    46  
   48    49    50    51    46  
   47    48  
    0  
   49    50    53    57    66    71    72    73    51    52    54    55    56    59    60    61  
   50    53    71    51    52    54    59  
   53    57    58    62    64    66    71    51    52    54    55    56    59    60    61  
   52    54    55    56    59    60    61    53    64    66    71    72    73  
   54    55    56    59    66    71    72    73  
   57    58    62    63    64    66    71    72    73    54    59    60    61    67    78  
   55    56    59    60    61    66    71    72    73  
   56    59    60    61    71  
   59    60    61    71  
   58    62    63    64    66    71    59    65    68    78  
   62    63    66    78  
   60    61    66    71  
   61  
    0  
   63    64    66    67    65    68    69    70    78  
   64    66    71    67    74    65    68    69    70    78  
   66    71    72    73    67    74    75    76    77    65    68    78  
   68    69    70    78    66    67  
   71    72    73    67    74  
   74    75    76    77    71  
   69    70    78  
   70    78  
   78  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
    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   1.6450   1.4500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   52   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    50   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   367.000  1.471
   50    53   317.000  1.510
   50    59   268.000  1.529
   53    57   469.000  1.400
   53    66   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    78   450.000  1.364
   63    64   469.000  1.400
   63    65   450.000  1.364
   64    66   469.000  1.400
   64    67   450.000  1.364
   66    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    51   367.000  1.471
   51    52   434.000  1.010
   51    54   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   67    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    68   320.000  1.380
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   320.000  1.380
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    50    48    58.35000  112.70000
   33    50    53    70.00000  112.17500
   33    50    59    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    58.35000  112.70000
   43    48    51    80.00000  111.20000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    50    59    58.35000  112.70000
   48    51    71    75.00000  113.01200
   48    51    52    35.00000  109.50000
   48    51    54    75.00000  113.01200
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    53    57    70.00000  120.00000
   50    53    66    70.00000  120.00000
   50    59    54    58.35000  112.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    66    64    63.00000  120.00000
   53    66    71    70.00000  120.00000
   57    62    63    63.00000  120.00000
   57    62    78    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    78    68   100.00000  112.36700
   63    64    66    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    65    68   100.00000  112.36700
   64    66    71    70.00000  120.00000
   64    67    74    75.00000  111.00000
   66    53    57    63.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    51    75.00000  110.83300
   71    51    52    35.00000  109.50000
   71    51    54    75.00000  113.01200
   73    71    72    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    80.00000  111.20000
   51    71    72    35.00000  109.50000
   51    71    73    35.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    80.00000  111.20000
   54    51    52    35.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    50    53    70.00000  112.17500
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   67    64    66    70.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    78    92.60000  111.55000
   70    68    69    33.00000  109.50000
   78    62    63    70.00000  120.00000
   78    68    69    35.00000  109.50000
   78    68    70    35.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    50    59   0.44750  1.0 1.0
   29    33    50    59  -0.17800 -1.0 2.0
   29    33    50    59   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.86500  1.0 1.0
   33    38    41    46  -0.17500 -1.0 2.0
   33    38    41    46   0.20800  1.0 3.0
   33    50    53    57   0.04150 -1.0 2.0
   33    50    53    66   0.04150 -1.0 2.0
   33    50    59    54   0.56750  1.0 1.0
   33    50    59    54  -0.07550 -1.0 2.0
   33    50    59    54   0.20000  1.0 3.0
   33    50    59    60   0.15000  1.0 3.0
   33    50    59    61   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    53   0.43200  1.0 3.0
   34    33    50    59   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    53  -0.03700  1.0 1.0
   38    33    50    53   0.37200 -1.0 2.0
   38    33    50    53  -0.47300  1.0 3.0
   38    33    50    59   0.56750  1.0 1.0
   38    33    50    59  -0.07550 -1.0 2.0
   38    33    50    59   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47  -0.11600  1.0 1.0
   38    41    46    47  -0.09450 -1.0 2.0
   38    41    46    47   0.21250  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   3.69350  1.0 1.0
   39    38    41    46  -1.82950 -1.0 2.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.56750  1.0 1.0
   41    43    48    50  -0.07550 -1.0 2.0
   41    43    48    50   0.20000  1.0 3.0
   41    43    48    51   1.36600  1.0 1.0
   41    43    48    51  -0.11450 -1.0 2.0
   41    43    48    51   0.24250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48   -50    33   0.56750  1.0 1.0
   43    48   -50    33  -0.07550 -1.0 2.0
   43    48   -50    33   0.20000  1.0 3.0
   43    48    50    53  -0.03700  1.0 1.0
   43    48    50    53   0.37200 -1.0 2.0
   43    48    50    53  -0.47300  1.0 3.0
   43    48    50    59   0.56750  1.0 1.0
   43    48    50    59  -0.07550 -1.0 2.0
   43    48    50    59   0.20000  1.0 3.0
   43    48    51    71   0.47100  1.0 1.0
   43    48    51    52   0.17350  1.0 3.0
   43    48    51    54   0.47100  1.0 1.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.19200  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    51   0.19200  1.0 3.0
   48    50    53    57   0.04150 -1.0 2.0
   48    50    53    66   0.04150 -1.0 2.0
   48    50   -59    54   0.56750  1.0 1.0
   48    50   -59    54  -0.07550 -1.0 2.0
   48    50   -59    54   0.20000  1.0 3.0
   48    50    59    60   0.15000  1.0 3.0
   48    50    59    61   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51   -54    59   0.47100  1.0 1.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    50    59   0.15000  1.0 3.0
   49    48    51    71   0.15000  1.0 3.0
   49    48    51    52   0.13050  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    38    39   0.62750  1.0 1.0
   50    33    38    39  -0.30950 -1.0 2.0
   50    33    38    39   0.27300  1.0 3.0
   50    33    38    40   0.15000  1.0 3.0
   50    33   -38    41   0.56750  1.0 1.0
   50    33   -38    41  -0.07550 -1.0 2.0
   50    33   -38    41   0.20000  1.0 3.0
   50    48    51    71   0.47100  1.0 1.0
   50    48    51    52   0.17350  1.0 3.0
   50    48   -51    54   0.47100  1.0 1.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    62   3.62500 -1.0 2.0
   50    53    66    64   3.62500 -1.0 2.0
   50    53   -66    71   3.62500 -1.0 2.0
   53    50    59    54  -0.03700  1.0 1.0
   53    50    59    54   0.37200 -1.0 2.0
   53    50    59    54  -0.47300  1.0 3.0
   53    50    59    60   0.43200  1.0 3.0
   53    50    59    61   0.43200  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    78   3.62500 -1.0 2.0
   53    66    71    72   0.00000  1.0 1.0
   53    66    71    73   0.00000  1.0 1.0
   53    66    71    51  -0.46400 -1.0 2.0
   57    53    66    64   3.62500 -1.0 2.0
   57    53    66    71   3.62500 -1.0 2.0
   57    62   -63    64   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    78    68   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    78   3.62500 -1.0 2.0
   62    63    64    66   3.62500 -1.0 2.0
   62    63    64    67   3.62500 -1.0 2.0
   62    63   -65    68   1.63200 -1.0 2.0
   63    62   -78    68   1.63200 -1.0 2.0
   63    64   -66    53   3.62500 -1.0 2.0
   63    64    66    71   3.62500 -1.0 2.0
   63    64    67    74   1.63200 -1.0 2.0
   63    65    68    69   0.08050  1.0 3.0
   63    65    68    70   0.08050  1.0 3.0
   63    65   -68    78  -0.25600  1.0 1.0
   63    65   -68    78  -0.40050 -1.0 2.0
   63    65   -68    78   0.34700  1.0 3.0
   64    63    65    68   1.63200 -1.0 2.0
   64    66    71    72   0.00000  1.0 1.0
   64    66    71    73   0.00000  1.0 1.0
   64    66    71    51  -0.46400 -1.0 2.0
   64    67    74    75   0.08050  1.0 3.0
   64    67    74    76   0.08050  1.0 3.0
   64    67    74    77   0.08050  1.0 3.0
   66    53    57    58   3.62500 -1.0 2.0
   66    53   -57    62   3.62500 -1.0 2.0
   66    64    67    74   1.63200 -1.0 2.0
   66    71   -51    48   0.03550  1.0 1.0
   66    71   -51    48   0.09800 -1.0 2.0
   66    71    51    52   0.17350  1.0 3.0
   66    71    51    54   0.03550  1.0 1.0
   66    71    51    54   0.09800 -1.0 2.0
   71    51    54    55   0.15000  1.0 3.0
   71    51    54    56   0.15000  1.0 3.0
   71    51    54    59   0.47100  1.0 1.0
   72    71    51    48   0.15000  1.0 3.0
   72    71    51    52   0.13050  1.0 3.0
   72    71    51    54   0.15000  1.0 3.0
   73    71    51    48   0.15000  1.0 3.0
   73    71    51    52   0.13050  1.0 3.0
   73    71    51    54   0.15000  1.0 3.0
   51    48    50    33   1.36600  1.0 1.0
   51    48    50    33  -0.11450 -1.0 2.0
   51    48    50    33   0.24250  1.0 3.0
   51    48   -50    53   1.24050  1.0 1.0
   51    48   -50    53   0.48100 -1.0 2.0
   51    48   -50    53   1.08150  1.0 3.0
   51    48   -50    59   1.36600  1.0 1.0
   51    48   -50    59  -0.11450 -1.0 2.0
   51    48   -50    59   0.24250  1.0 3.0
   51    54   -59    50   1.36600  1.0 1.0
   51    54   -59    50  -0.11450 -1.0 2.0
   51    54   -59    50   0.24250  1.0 3.0
   51    54    59    60   0.19200  1.0 3.0
   51    54    59    61   0.19200  1.0 3.0
   52    51    54    55   0.13050  1.0 3.0
   52    51    54    56   0.13050  1.0 3.0
   52    51    54    59   0.17350  1.0 3.0
   55    54    59    50   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    50   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    50    53    57   0.04150 -1.0 2.0
   59    50    53    66   0.04150 -1.0 2.0
   67    64    66    53   3.62500 -1.0 2.0
   67    64    66    71   3.62500 -1.0 2.0
   65    63    64    66   3.62500 -1.0 2.0
   65    63    64    67   3.62500 -1.0 2.0
   65    68   -78    62  -0.25600  1.0 1.0
   65    68   -78    62  -0.40050 -1.0 2.0
   65    68   -78    62   0.34700  1.0 3.0
   69    68    78    62   0.08050  1.0 3.0
   70    68    78    62   0.08050  1.0 3.0
   78    62    63    64   3.62500 -1.0 2.0
   78    62   -63    65   3.62500 -1.0 2.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  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
   57    66    53    50   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   63    78    62    57   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   66    67    64    63   4.00000 -1.0 2.0
   64    71    66    53   4.00000 -1.0 2.0
END
