* LIGAND DATABASE FILE (OPLS2005)
*
001     105   112    209    352     620
    1     0 S   NP   _N1_     1    29.18300    97.47587   -18.52593
    2     1 S   H    _HN1     2     1.02771    77.19868  -105.60204
    3     1 S   H    _H1_     3     1.02963    77.62029     6.80677
    4     1 S   H    _H2_     4     1.02832    52.72189   129.68012
    5     1 S   CT   _CA1     5     1.50229   163.42448   127.35464
    6     5 S   HC   _HA1     6     1.09545   105.21483    61.50332
    7     5 S   CO3  _C1_     7     1.54045   112.13166   -58.89552
    8     7 S   O2Z  _O11     8     1.26405   115.01366   -38.02061
    9     7 S   O2Z  _O12     9     1.26213   115.12293   140.62517
   10     5 S   CT   _CB1    10     1.53111   107.41401   180.00000
   11    10 S   HC   HB11    11     1.09827   110.09625   -41.06982
   12    10 S   HC   HB12    12     1.09812   110.02723    75.56651
   13    10 S   CT   _CG1    13     1.53113   112.71728  -161.79840
   14    13 S   HC   HG11    14     1.09449   110.93641   -51.26087
   15    13 S   HC   HG12    15     1.09641   109.90765    67.44496
   16    13 S   C    _CD1    16     1.51993   111.83656  -172.64454
   17    16 S   O    _OE1    17     1.22755   123.11494   -13.10616
   18    16 S   N    _N2_    18     1.38551   111.96052   168.04295
   19    18 S   H    _HN2    19     1.01565   118.88481     2.29371
   20    18 S   CT1  _CA2    20     1.46255   123.55980   179.39059
   21    20 S   HC   _HA2    21     1.09711   109.62378    -1.54205
   22    20 S   C    _C2_    22     1.53533   107.93014  -117.14206
   23    22 S   O    _O2_    23     1.23026   122.27676  -142.62869
   24    20 S   CT   _CB2    32     1.53384   111.48164   120.86358
   25    24 S   HC   HB21    33     1.09278   109.59262    54.70829
   26    24 S   HC   HB22    34     1.09534   110.41580   172.40265
   27    22 S   N    _N3_    24     1.38511   113.48525    44.41914
   28    27 S   H    _HN3    25     1.01497   119.02149     0.01978
   29    24 S   S    _SG2    35     1.83236   112.29656   -69.05359
   30    27 S   CT   _CA3    26     1.45453   123.41419   175.62283
   31    30 S   HC   HA31    27     1.09523   109.25054    24.43762
   32    30 S   HC   HA32    28     1.09498   107.11434   141.41425
   33    29 S   CT   _C16    36     1.87745   101.08816   132.64405
   34    33 S   HC   _H3_    37     1.09483   104.26733   167.96279
   35    30 S   CO3  _C3_    29     1.52913   113.10223   -99.07132
   36    35 S   O2Z  _O31    30     1.26402   115.38335   -45.43089
   37    35 S   O2Z  _O32    31     1.26354   114.99952   135.52283
   38    33 S   CT   _C17    38     1.54869   106.79041   -78.80056
   39    38 S   HC   _H4_    39     1.09402   109.00436    46.63515
   40    38 S   CT   _C18    40     1.54270   113.97579   167.20945
   41    40 S   HC   _H5_    41     1.09731   109.05966    71.95119
   42    38 S   CO4  _C33    99     1.53012   109.46988   -69.38561
   43    42 S   O    _O33   100     1.22425   123.36712   109.48025
   44    40 S   CT   _C32    42     1.54778   112.12900  -170.39152
   45    44 S   HC   _H31    43     1.09651   109.98029   -52.29752
   46    44 S   HC   _H32    44     1.09964   108.44109  -167.32287
   47    40 S   CT   _C19    71     1.54073   110.80163   -47.12154
   48    47 S   HC   _H6_    72     1.10076   106.70253   172.24091
   49    42 S   OS   _O34   101     1.36332   111.40046   -69.59659
   50    44 S   CT   _C31    45     1.53578   112.63819    71.38194
   51    50 S   HC   _H7_    46     1.09778   110.14512   -63.25198
   52    47 S   CT   _C5_    73     1.56792   111.63768    54.81155
   53    49 S   CT   _C34   102     1.43045   115.19235  -179.65226
   54    53 S   HC   _H33   103     1.09323   108.08435   179.29891
   55    53 S   HC   _H34   104     1.09430   110.30651    60.61862
   56    53 S   HC   _H35   105     1.09420   110.26974   -62.02186
   57    50 S   C5A  _C30    47     1.49855   112.77630   177.97648
   58    52 S   C5A  _C6_    74     1.52076   112.34710    66.59188
   59    52 S   CT   _C4_    95     1.55891   108.33253  -176.49027
   60    59 S   HC   _H8_    96     1.09587   111.74819    74.93595
   61    59 S   HC   _H9_    97     1.09729   110.84180   -45.56388
   62    59 S   HC   _H10    98     1.09640   112.91333  -164.13853
   63    57 S   C5B  _C23    48     1.37949   125.15944  -138.99740
   64    57 S   NA   _N7_    59     1.36569   126.52630    46.11052
   65    64 S   H    _H30    60     1.01306   125.64292    -0.13417
   66    58 S   C5B  _C7_    75     1.38166   125.17181  -148.34696
   67    58 S   NA   _N4_    86     1.36846   126.83741    35.68272
   68    67 S   H    _H15    87     1.01039   125.68385    -1.82970
   69    63 S   C56B _C24    49     1.42044   107.78790  -177.75066
   70    63 S   CT   _C22    61     1.48862   121.00833     2.34752
   71    70 S   HC   _H24    62     1.09698   108.79224   104.78594
   72    70 S   HC   _H25    63     1.09555   110.57996  -137.05941
   73    66 S   C56B _C8_    76     1.42117   107.82808  -178.37237
   74    66 S   CT   _C14    88     1.48937   121.81456     2.67152
   75    74 S   HC   _H16    89     1.09643   108.97063   113.12753
   76    74 S   HC   _H17    90     1.09597   110.14138  -129.45570
   77    69 S   CA   _C25    50     1.40910   134.52999  -179.28811
   78    77 S   HA   _H26    51     1.08611   120.73316     0.59017
   79    70 S   CT   _C21    64     1.54795   110.65392   -15.56955
   80    79 S   HC   _H22    65     1.09684   107.59460   166.99164
   81    79 S   HC   _H23    66     1.09840   110.10043   -76.53837
   82    73 S   CA   _C9_    77     1.40923   134.42078  -179.07550
   83    82 S   HA   _H11    78     1.08618   120.73205     0.09065
   84    74 S   CT   _C15    91     1.54929   111.28171    -8.10448
   85    84 S   HC   _H18    92     1.09576   108.84179   162.70355
   86    84 S   HC   _H19    93     1.09644   108.87250   -85.61408
   87    77 S   CA   _C26    52     1.39967   119.25668  -179.35411
   88    87 S   HA   _H27    53     1.08685   119.51633  -179.95577
   89    50 S   NT   _N6_    67     1.48474   108.62825    56.81002
   90    82 S   CA   _C10    79     1.39946   119.27306  -179.92867
   91    90 S   HA   _H12    80     1.08688   119.53026  -180.00000
   92    33 S   NT   _N5_    94     1.48684   111.61455    50.00458
   93    87 S   CA   _C27    54     1.39343   120.77685     0.17804
   94    93 S   HA   _H28    55     1.08709   119.57276   179.86878
   95    89 S   CT   _C20    68     1.46791   111.37757   -61.75193
   96    95 S   HC   _H20    69     1.09465   110.95380   -61.98033
   97    95 S   HC   _H21    70     1.09478   107.49556  -178.76997
   98    90 S   CA   _C11    81     1.39321   120.75115     0.05595
   99    98 S   HA   _H13    82     1.08717   119.55905   179.95154
  100    93 S   CA   _C28    56     1.39772   121.03955    -0.04846
  101   100 S   HA   _H29    57     1.08503   121.02672   179.81655
  102    98 S   CA   _C12    83     1.39778   121.03690    -0.00000
  103   102 S   HA   _H14    84     1.08493   120.91553   179.93147
  104    69 S   C56A _C29    58     1.39868   106.75104     1.36415
  105    73 S   C56A _C13    85     1.39774   106.84492     1.01780
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  18   7   2   1   1  17   8  20   9   9   2  13   6   5  17   8
   4  15   6  19   3   2   1   1  13  17   8   3   2   1  15   9
   3  15   9   3  12   9   5   4  12   8   5   4   7   4   6   3
   2   7   4   3   2   1   6   3   3   6   3   1   4   3   2   1
   1   4   3   2   1   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    92    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    52    84    92    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    52    58    74    84    85    86    92    59    42    43    49  
   38    39    40    52    84    92    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    95    47    48    52    84    92    42    43    49    53  
   40    41    44    47    92    42    43    49  
   41    44    45    46    50    51    57    89    95    96    97    47    48    52    58    92    59    42    43    49  
   44    45    46    50    95    47    48    52    42  
   43    49    53    54    55    56    44    47    92  
   49    53  
   45    46    50    51    57    63    64    79    89    95    47    48    52  
   46    50    51    57    89    47  
   50    51    57    89    47  
   48    52    58    66    67    84    92    59    60    61    62    50    79    89    95    96    97  
   52    58    92    59    89    95    96    97  
   53    54    55    56  
   51    57    63    69   104    64    65    70    79    80    81    89    95    96    97  
   57    63    64    79    89    95  
   58    66    73   105    67    68    74    84    85    86    92    59    60    61    62    89    95    96    97  
   54    55    56  
   55    56  
   56  
    0  
   63    69    77   100   104    64    65    70    71    72    79    89    95  
   66    73    82   102   105    67    68    74    75    76    84    92    59    60    61    62    95  
   60    61    62    66    67    84    92    95  
   61    62    92  
   62    92  
   92  
   69    77    78    87   100   104    64    65    70    71    72    79    80    81    89  
   65    70    89    69    77    93   100   101   104  
   69   100   104  
   73    82    83    90   102   105    67    68    74    75    76    84    85    86    92  
   68    74    92    73    82    98   102   103   105  
   73   102   105  
   77    78    87    88    93   100   101   104    70    71    72    79  
   71    72    79    80    81    89    95    77   104  
   72    79    80    81    89  
   79    80    81    89  
   82    83    90    91    98   102   103   105    74    75    76    84  
   75    76    84    85    86    92    82   105  
   76    84    85    86    92  
   84    85    86    92  
   78    87    88    93    94   100   104  
   87    88    93   104  
   80    81    89    95    96    97  
   81    89    95  
   89    95  
   83    90    91    98    99   102   105  
   90    91    98   105  
   85    86    92  
   86    92  
   92  
   88    93    94   100   101   104  
   93    94   100  
   95    96    97  
   91    98    99   102   103   105  
   98    99   102  
   95  
   94   100   101   104  
  100   101   104  
   96    97  
   97  
    0  
   99   102   103   105  
  102   103   105  
  101   104  
  104  
  103   105  
  105  
    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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   89   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   90   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   92   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   93   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  102   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  103   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  104   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
  105   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    92   382.000  1.448
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    57   295.000  1.489
   50    89   382.000  1.448
   57    63   520.000  1.370
   57    64   427.000  1.381
   63    69   380.000  1.440
   63    70   295.000  1.494
   69    77   469.000  1.404
   69   104   447.000  1.419
   77    78   367.000  1.080
   77    87   469.000  1.400
   87    88   367.000  1.080
   87    93   469.000  1.400
   93    94   367.000  1.080
   93   100   469.000  1.400
  100   101   367.000  1.080
  100   104   469.000  1.400
  104    64   428.000  1.380
   64    65   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    89   382.000  1.448
   89    95   382.000  1.448
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    47   268.000  1.529
   47    48   340.000  1.090
   47    52   268.000  1.529
   52    58   295.000  1.489
   52    92   382.000  1.448
   52    59   268.000  1.529
   58    66   520.000  1.370
   58    67   427.000  1.381
   66    73   380.000  1.440
   66    74   295.000  1.494
   73    82   469.000  1.404
   73   105   447.000  1.419
   82    83   367.000  1.080
   82    90   469.000  1.400
   90    91   367.000  1.080
   90    98   469.000  1.400
   98    99   367.000  1.080
   98   102   469.000  1.400
  102   103   367.000  1.080
  102   105   469.000  1.400
  105    67   428.000  1.380
   67    68   434.000  1.010
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    92    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    92    52    51.80000  107.20000
   33    92    84    51.80000  107.20000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    47    95    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    57    70.00000  113.44400
   44    50    89    56.20000  109.47000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    57    63    55.00000  130.44200
   50    57    64    65.00000  122.56900
   50    89    79    51.80000  107.20000
   50    89    95    51.80000  107.20000
   57    50    51    45.00000  110.47400
   57    63    69    80.00000  105.82900
   57    63    70    55.00000  127.77900
   57    64   104    90.00000  107.14200
   57    64    65    35.00000  120.00000
   63    69    77    50.00000  134.85500
   63    69   104    80.00000  107.43600
   63    70    71    45.00000  111.11700
   63    70    72    45.00000  111.11700
   63    70    79    70.00000  112.62400
   69    77    78    35.00000  120.00000
   69    77    87    63.00000  120.00000
   69   104   100    85.00000  122.70000
   69   104    64    70.00000  104.40000
   77    87    88    35.00000  120.00000
   77    87    93    63.00000  120.00000
   87    77    78    35.00000  120.00000
   87    93    94    35.00000  120.00000
   87    93   100    63.00000  120.00000
   93    87    88    35.00000  120.00000
   93   100   101    35.00000  120.00000
   93   100   104    85.00000  120.00000
  100    93    94    35.00000  120.00000
  100   104    64    70.00000  132.80000
  104    69    77    85.00000  116.20000
  104   100   101    35.00000  120.00000
  104    64    65    35.00000  123.10000
   64    57    63    70.00000  106.30000
   70    63    69    55.00000  128.73000
   70    79    80    37.50000  110.70000
   70    79    81    37.50000  110.70000
   70    79    89    56.20000  109.47000
   72    70    71    33.00000  107.80000
   79    70    71    37.50000  110.70000
   79    70    72    37.50000  110.70000
   79    89    95    51.80000  107.20000
   81    79    80    33.00000  107.80000
   89    50    51    35.00000  109.50000
   89    50    57    75.00000  112.58000
   89    79    80    35.00000  109.50000
   89    79    81    35.00000  109.50000
   89    95    96    35.00000  109.50000
   89    95    97    35.00000  109.50000
   89    95    47    56.20000  109.47000
   95    47    48    37.50000  110.70000
   95    47    52    58.35000  112.70000
   97    95    96    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    95    96    37.50000  110.70000
   47    95    97    37.50000  110.70000
   47    52    58    70.00000  113.44400
   47    52    92    56.20000  109.47000
   47    52    59    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    58    66    55.00000  130.44200
   52    58    67    65.00000  122.56900
   52    92    84    51.80000  107.20000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   58    66    73    80.00000  105.82900
   58    66    74    55.00000  127.77900
   58    67   105    90.00000  107.14200
   58    67    68    35.00000  120.00000
   66    73    82    50.00000  134.85500
   66    73   105    80.00000  107.43600
   66    74    75    45.00000  111.11700
   66    74    76    45.00000  111.11700
   66    74    84    70.00000  112.62400
   73    82    83    35.00000  120.00000
   73    82    90    63.00000  120.00000
   73   105   102    85.00000  122.70000
   73   105    67    70.00000  104.40000
   82    90    91    35.00000  120.00000
   82    90    98    63.00000  120.00000
   90    82    83    35.00000  120.00000
   90    98    99    35.00000  120.00000
   90    98   102    63.00000  120.00000
   98    90    91    35.00000  120.00000
   98   102   103    35.00000  120.00000
   98   102   105    85.00000  120.00000
  102    98    99    35.00000  120.00000
  102   105    67    70.00000  132.80000
  105    73    82    85.00000  116.20000
  105   102   103    35.00000  120.00000
  105    67    68    35.00000  123.10000
   67    58    66    70.00000  106.30000
   74    66    73    55.00000  128.73000
   74    84    85    37.50000  110.70000
   74    84    86    37.50000  110.70000
   74    84    92    56.20000  109.47000
   76    74    75    33.00000  107.80000
   84    74    75    37.50000  110.70000
   84    74    76    37.50000  110.70000
   86    84    85    33.00000  107.80000
   92    33    34    35.00000  109.50000
   92    33    38    56.20000  109.47000
   92    52    58    75.00000  112.58000
   92    84    85    35.00000  109.50000
   92    84    86    35.00000  109.50000
   59    52    58    70.00000  113.44400
   59    52    92    56.20000  109.47000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
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   59    52    92    33   0.23450  1.0 1.0
   59    52    92    33   0.02050 -1.0 2.0
   59    52    92    33   0.25250  1.0 3.0
   59    52    92    84   0.23450  1.0 1.0
   59    52    92    84   0.02050 -1.0 2.0
   59    52    92    84   0.25250  1.0 3.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   3.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   63    64    57    50   4.00000 -1.0 2.0
   69    70    63    57   4.00000 -1.0 2.0
   77   104    69    63   4.00000 -1.0 2.0
   87    78    77    69   1.10000 -1.0 2.0
   93    88    87    77   1.10000 -1.0 2.0
  100    94    93    87   1.10000 -1.0 2.0
  104   101   100    93   1.10000 -1.0 2.0
  100    64   104    69   4.00000 -1.0 2.0
   65    57    64   104   1.00000 -1.0 2.0
   66    67    58    52   4.00000 -1.0 2.0
   73    74    66    58   4.00000 -1.0 2.0
   82   105    73    66   4.00000 -1.0 2.0
   90    83    82    73   1.10000 -1.0 2.0
   98    91    90    82   1.10000 -1.0 2.0
  102    99    98    90   1.10000 -1.0 2.0
  105   103   102    98   1.10000 -1.0 2.0
  102    67   105    73   4.00000 -1.0 2.0
   68    58    67   105   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
