* LIGAND DATABASE FILE (OPLS2005)
*
001     108   111    212    336     625
    1     0 S   NP   _N1_     1    28.73639    96.79778   -19.97845
    2     1 S   H    _HN1     2     1.02960    84.80162    40.49015
    3     1 S   H    _H1_     3     1.02833    43.48372   162.04937
    4     1 S   H    _H2_     4     1.02778    80.60529   -69.09088
    5     1 S   CT   _CA1     5     1.50116   154.12709   168.34587
    6     5 S   HC   _HA1     6     1.09579   105.21743    54.39255
    7     5 S   CO3  _C1_     7     1.53729   112.46503   -65.74183
    8     7 S   O2Z  _O11     8     1.26350   115.02879   -42.56009
    9     7 S   O2Z  _O12     9     1.26243   114.87627   136.59435
   10     5 S   CT   _CB1    10     1.53066   107.42350   172.23148
   11    10 S   HC   HB11    11     1.09820   109.18513   -51.60926
   12    10 S   HC   HB12    12     1.09825   110.43784    64.87940
   13    10 S   CT   _CG1    13     1.53014   112.76412  -172.82583
   14    13 S   HC   HG11    14     1.09611   110.31893   -64.93085
   15    13 S   HC   HG12    15     1.09643   110.10946    54.32411
   16    13 S   C    _CD1    16     1.51801   112.26979   174.51059
   17    16 S   O    _OE1    17     1.22732   123.23755    -6.43864
   18    16 S   N    _N2_    18     1.38626   111.67517   174.02552
   19    18 S   H    _HN2    19     1.01589   119.03677     0.66146
   20    18 S   CT1  _CA2    20     1.46230   123.32529  -178.83938
   21    20 S   HC   _HA2    21     1.09736   109.31453   -13.88633
   22    20 S   C    _C2_    22     1.53405   108.39298  -129.58417
   23    22 S   O    _O2_    23     1.23014   122.23185  -146.26020
   24    20 S   CT   _CB2    32     1.53425   111.48254   108.14357
   25    24 S   HC   HB21    33     1.09600   109.78010    55.61556
   26    24 S   HC   HB22    34     1.09475   110.42508   174.58879
   27    22 S   N    _N3_    24     1.38505   113.36278    41.12924
   28    27 S   H    _HN3    25     1.01532   118.90193    -0.68271
   29    24 S   S    _SG2    35     1.82654   111.71687   -65.28510
   30    27 S   CT   _CA3    26     1.45452   123.49165   175.07678
   31    30 S   HC   HA31    27     1.09520   109.28531    23.40794
   32    30 S   HC   HA32    28     1.09496   107.11005   140.42472
   33    29 S   CT   _C23    36     1.83100    99.33920   168.58725
   34    33 S   HC   _H8_    37     1.09461   108.08331   -47.57244
   35    30 S   CO3  _C3_    29     1.52924   113.08320  -100.09957
   36    35 S   O2Z  _O31    30     1.26405   115.39679   -44.50244
   37    35 S   O2Z  _O32    31     1.26353   114.98696   136.42255
   38    33 S   CT   _C24    38     1.54451   113.34620    72.24711
   39    38 S   HC   _H9_    39     1.09583   109.88791   -88.28454
   40    38 S   CO4  _C25    40     1.50922   101.21924   156.71883
   41    40 S   O    _O35    41     1.22678   123.42987   160.74909
   42    38 S   CT   _C26   105     1.52568   117.76500    38.98439
   43    42 S   HC   _H29   106     1.09537   111.91406    50.78693
   44    42 S   HC   _H30   107     1.09398   111.59252   -71.02974
   45    42 S   HC   _H31   108     1.09610   110.52381   169.89368
   46    40 S   CT   _C21    42     1.51941   112.88611   -19.69072
   47    46 S   CT   _C20    43     1.54592   110.44852  -123.69837
   48    47 S   HC   _H27    44     1.09948   107.30103    26.61580
   49    47 S   HC   _H28    45     1.09778   109.69213   -88.14655
   50    33 S   CT   _C22    60     1.55172   112.51321  -168.65236
   51    50 S   HC   _H7_    61     1.10186   104.81840   -47.27414
   52    46 S   OH   _O36   103     1.41913   104.02267   115.84591
   53    52 S   HO   _H32   104     0.97339   108.17213    66.73953
   54    47 S   CM   _C19    46     1.52420   119.09965   147.12240
   55    54 S   CM   _C18    47     1.34776   125.74133    22.13813
   56    55 S   HC   _H26    48     1.08856   118.62915  -178.32626
   57    54 S   CT   _C27    93     1.51305   114.67228  -156.19253
   58    57 S   HC   _H33    94     1.09652   111.67787   179.27530
   59    57 S   HC   _H34    95     1.09679   109.52125    59.00584
   60    55 S   CT   _C13    49     1.50755   125.12614     6.67650
   61    60 S   HC   _H5_    50     1.09300   104.23805    48.03158
   62    57 S   OS   _O37    96     1.43653   108.62988   -60.79747
   63    60 S   C3T  _C14    51     1.51716   113.38987   164.32624
   64    63 S   HC   _H6_    52     1.08664   111.70356    49.09758
   65    62 S   CO4  _C28    97     1.36248   115.41489   177.30834
   66    65 S   O    _O38    98     1.22331   126.22717     0.10468
   67    63 S   C3T  _C9_    53     1.51079   114.89571  -175.56699
   68    65 S   CT   _C29    99     1.49833   109.60081  -179.88809
   69    68 S   HC   _H35   100     1.09289   109.83349   -61.08045
   70    68 S   HC   _H36   101     1.09379   109.35998   179.86583
   71    68 S   HC   _H37   102     1.09291   109.82984    60.82994
   72    67 S   CT   _C10    54     1.50968   113.92598     0.11703
   73    72 S   HC   _H18    55     1.09665   110.22995  -173.12648
   74    72 S   HC   _H19    56     1.09431   111.00001    71.73819
   75    63 S   C3T  _C15    68     1.51824   125.25890  -104.65673
   76    67 S   OS   _O34    77     1.44743   114.83160  -133.24952
   77    72 S   CT   _C11    57     1.55761   112.40704   -49.46631
   78    77 S   HC   _H4_    58     1.09600   104.30237   160.22684
   79    75 S   CT   _C16    69     1.50877   121.43644     8.03934
   80    79 S   HC   _H20    70     1.09549   109.78522  -157.68151
   81    79 S   HC   _H21    71     1.09555   109.93432    83.70863
   82    79 S   HC   _H22    72     1.09072   114.78649   -36.99808
   83    75 S   CT   _C17    73     1.51454   115.69567   148.97171
   84    83 S   HC   _H23    74     1.09479   110.31131   152.90815
   85    83 S   HC   _H24    75     1.09504   112.56455    32.12732
   86    83 S   HC   _H25    76     1.09531   110.19333   -87.65852
   87    76 S   CO4  _C8_    78     1.36606   117.63976  -148.20658
   88    87 S   O    _O33    79     1.22435   125.56432     2.70668
   89    60 S   CT   _C12    59     1.57475   115.35192   -70.20276
   90    77 S   CT   _C30    64     1.53844   108.29763   -86.65387
   91    90 S   HC   _H39    65     1.09437   112.09972    65.82282
   92    90 S   HC   _H40    66     1.09594   110.53562   -53.92225
   93    90 S   HC   _H41    67     1.08948   111.90513  -172.47108
   94    87 S   CT   _C6_    80     1.51690   109.80706  -175.89010
   95    94 S   HC   _H3_    81     1.09718   108.97476   -17.23509
   96    89 S   OH   _O39    62     1.44222   107.16116   -71.82938
   97    96 S   HO   _H38    63     0.97199   108.41596    59.32455
   98    94 S   CT   _C7_    82     1.52601   108.09116   100.93552
   99    98 S   HC   _H15    83     1.09577   111.36688    61.54138
  100    98 S   HC   _H16    84     1.09465   110.89069  -178.05107
  101    98 S   HC   _H17    85     1.09552   110.82580   -57.97393
  102    94 S   CT   _C5_    86     1.53466   111.33084  -136.92917
  103   102 S   HC   _H13    87     1.09690   109.33134  -172.67405
  104   102 S   HC   _H14    88     1.09682   110.61345   -55.26369
  105   102 S   CT   _C4_    89     1.52297   112.61681    66.92332
  106   105 S   HC   _H10    90     1.09376   111.42992   -63.91518
  107   105 S   HC   _H11    91     1.09467   110.08083   176.59717
  108   105 S   HC   _H12    92     1.09461   111.03511    57.03296
  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
  18   8   2   1   1  13   8  15   5   5   2   1   1  14  15   6
   5  15   5   3   1  11  14   5   7   3   2  15   7   6  19   7
   5   4  20   3   2   1   1  15   7   6  12   9   8   6   7   3
   2   1   3   2   1   1  11   4   6   4   2   1   1  12   8   1
   1   7   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    46    89    50    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    60    77    89    50    51    96    52    42    43    44    45  
   38    39    40    46    89    50    51    42  
   36    37  
   37  
    0  
   39    40    41    46    47    89    50    51    52    42    43    44    45  
   40    41    46    50    42    43    44    45  
   41    46    47    48    49    54    89    50    51    52    53    42    43    44    45  
   46    47    50    52    42  
   43    44    45    46    50  
   44    45  
   45  
    0  
   47    48    49    54    55    60    77    89    50    51    96    57    52    53  
   48    49    54    55    56    60    89    50    51    57    58    59    62    52    53  
   49    54    55    50    57    52  
   54    55    50    57    52  
   51    96    97    90    52    53    54    55    60    61    63    72    77    78    89  
   96    52    60    77    89  
   53    54    89  
    0  
   55    56    60    61    63    89    57    58    59    62    65  
   56    60    61    63    64    67    77    89    96    75    57    58    59    62  
   60    61    63    89    57  
   58    59    62    65    66    68    60  
   59    62    65  
   62    65  
   61    63    64    67    72    77    78    89    96    97    90    75    79    83    76  
   63    64    67    77    89    96    75  
   65    66    68    69    70    71  
   64    67    72    73    74    77    89    96    75    79    80    81    82    83    84    85    86    76    87  
   67    72    89    75    79    83    76  
   66    68    69    70    71  
   68    69    70    71  
   72    73    74    77    78    89    90    75    79    80    81    82    83    84    85    86    76    87    88    94  
   69    70    71  
   70    71  
   71  
    0  
   73    74    77    78    89    96    90    91    92    93    75    79    83    76    87  
   74    77    78    89    90    75    76  
   77    78    89    90    75    76  
   79    80    81    82    83    84    85    86    76    87    77    89  
   87    88    94    95    98   102    77    79    83  
   78    89    96    97    90    91    92    93  
   89    96    90    91    92    93  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    94    95    98    99   100   101   102   103   104   105  
   94    95    98   102  
   96    97    90    91    92    93  
   91    92    93    96  
   92    93  
   93  
    0  
   95    98    99   100   101   102   103   104   105   106   107   108  
   98    99   100   101   102   103   104   105  
   97  
    0  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105   106   107   108  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   268.000  1.529
   46    50   268.000  1.529
   46    52   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.510
   54    55   549.000  1.340
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    60   317.000  1.510
   60    61   340.000  1.090
   60    63   275.000  1.510
   60    89   268.000  1.529
   63    64   340.000  1.088
   63    67   260.000  1.509
   63    75   260.000  1.509
   67    72   275.000  1.510
   67    75   260.000  1.509
   67    76   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    89   268.000  1.529
   77    90   268.000  1.529
   89    50   268.000  1.529
   89    96   320.000  1.410
   50    51   340.000  1.090
   96    97   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   75    79   275.000  1.510
   75    83   275.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   76    87   214.000  1.327
   87    88   570.000  1.229
   87    94   317.000  1.522
   94    95   340.000  1.090
   94    98   268.000  1.529
   94   102   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   320.000  1.410
   62    65   214.000  1.327
   65    66   570.000  1.229
   65    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    50    46    58.35000  112.70000
   33    50    89    58.35000  112.70000
   33    50    51    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    63.00000  111.10000
   40    46    50    63.00000  111.10000
   40    46    52    90.00000  109.61100
   46    40    41    80.00000  120.40000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    54    70.00000  112.02700
   46    50    89    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    52    53    55.00000  108.50000
   47    54    55    70.00000  124.00000
   47    54    57    65.00000  117.92700
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    60    70.00000  124.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    85.00000  110.90400
   55    60    61    35.00000  109.50000
   55    60    63    70.00000  112.02700
   55    60    89    70.00000  112.02700
   60    55    56    35.00000  117.00000
   60    63    64    40.00000  115.04500
   60    63    67    60.00000  120.94000
   60    63    75    60.00000  120.94000
   60    89    77    58.35000  112.70000
   60    89    50    58.35000  112.70000
   60    89    96    50.00000  109.50000
   63    60    61    45.00000  109.38400
   63    67    72    60.00000  120.94000
   63    67    75    10.00000   60.00500
   63    67    76    50.00000  109.50000
   63    75    67    10.00000   60.00500
   63    75    79    60.00000  120.94000
   63    75    83    60.00000  120.94000
   67    63    64    37.50000  117.20000
   67    72    73    45.00000  109.38400
   67    72    74    45.00000  109.38400
   67    72    77    70.00000  112.37300
   67    75    79    60.00000  120.94000
   67    75    83    60.00000  120.94000
   67    76    87    83.00000  116.90000
   72    77    78    37.50000  110.70000
   72    77    89    58.35000  112.70000
   72    77    90    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    89    50    58.35000  112.70000
   77    89    96    50.00000  109.50000
   77    90    91    37.50000  110.70000
   77    90    92    37.50000  110.70000
   77    90    93    37.50000  110.70000
   89    60    61    37.50000  110.70000
   89    60    63    70.00000  112.37300
   89    77    78    37.50000  110.70000
   89    50    51    37.50000  110.70000
   89    96    97    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    46    47    58.35000  112.70000
   96    89    50    50.00000  109.50000
   90    77    78    37.50000  110.70000
   90    77    89    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   75    63    64    37.50000  117.20000
   75    63    67    10.00000   60.00500
   75    67    72    60.00000  120.94000
   75    79    80    45.00000  109.38400
   75    79    81    45.00000  109.38400
   75    79    82    45.00000  109.38400
   75    83    84    45.00000  109.38400
   75    83    85    45.00000  109.38400
   75    83    86    45.00000  109.38400
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    75    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   76    67    72    50.00000  109.50000
   76    67    75    50.00000  109.50000
   76    87    88    83.00000  123.40000
   76    87    94    81.00000  111.40000
   87    94    95    35.00000  109.50000
   87    94    98    63.00000  111.10000
   87    94   102    63.00000  111.10000
   94    87    88    80.00000  120.40000
   94    98    99    37.50000  110.70000
   94    98   100    37.50000  110.70000
   94    98   101    37.50000  110.70000
   94   102   103    37.50000  110.70000
   94   102   104    37.50000  110.70000
   94   102   105    58.35000  112.70000
   98    94    95    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    94    95    37.50000  110.70000
  102    94    98    58.35000  112.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   57    54    55    70.00000  124.00000
   57    62    65    83.00000  116.90000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    65    66    83.00000  123.40000
   62    65    68    81.00000  111.40000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   68    65    66    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    46    47    50.00000  109.50000
   52    46    50    50.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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
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   75    63   -67    72   0.07850  1.0 1.0
   75    63   -67    72  -0.03950 -1.0 2.0
   75    63   -67    72   0.67350  1.0 3.0
   75    63   -67    76  -0.26800  1.0 1.0
   75    63   -67    76   0.69150 -1.0 2.0
   75    63   -67    76  -0.48750  1.0 3.0
   75    67    72    73   0.15000  1.0 3.0
   75    67    72    74   0.15000  1.0 3.0
   75    67    72    77   0.07850  1.0 1.0
   75    67    72    77  -0.03950 -1.0 2.0
   75    67    72    77   0.67350  1.0 3.0
   75    67    76    87  -0.25900  1.0 1.0
   75    67    76    87  -0.47000 -1.0 2.0
   75    67    76    87   0.11750  1.0 3.0
   79    75    83    84   0.15000  1.0 3.0
   79    75    83    85   0.15000  1.0 3.0
   79    75    83    86   0.15000  1.0 3.0
   83    75    79    80   0.15000  1.0 3.0
   83    75    79    81   0.15000  1.0 3.0
   83    75    79    82   0.15000  1.0 3.0
   76    67    72    73   0.23400  1.0 3.0
   76    67    72    74   0.23400  1.0 3.0
   76    67    72    77   0.62750  1.0 1.0
   76    67    72    77  -0.30950 -1.0 2.0
   76    67    72    77   0.27300  1.0 3.0
   76    67   -75    63  -0.26800  1.0 1.0
   76    67   -75    63   0.69150 -1.0 2.0
   76    67   -75    63  -0.48750  1.0 3.0
   76    67    75    79   0.62750  1.0 1.0
   76    67    75    79  -0.30950 -1.0 2.0
   76    67    75    79   0.27300  1.0 3.0
   76    67    75    83   0.62750  1.0 1.0
   76    67    75    83  -0.30950 -1.0 2.0
   76    67    75    83   0.27300  1.0 3.0
   76    87    94    95   0.00000  1.0 1.0
   76    87    94    98   0.36750  1.0 3.0
   76    87    94   102   0.36750  1.0 3.0
   87    94    98    99  -0.11250  1.0 3.0
   87    94    98   100  -0.11250  1.0 3.0
   87    94    98   101  -0.11250  1.0 3.0
   87    94   102   103  -0.11250  1.0 3.0
   87    94   102   104  -0.11250  1.0 3.0
   87    94   102   105  -0.95700  1.0 1.0
   87    94   102   105  -0.18200 -1.0 2.0
   87    94   102   105   0.29450  1.0 3.0
   88    87    94    95   0.00000  1.0 1.0
   88    87    94    98   0.30150 -1.0 2.0
   88    87    94   102   0.30150 -1.0 2.0
   94   102   105   106   0.15000  1.0 3.0
   94   102   105   107   0.15000  1.0 3.0
   94   102   105   108   0.15000  1.0 3.0
   95    94    98    99   0.15000  1.0 3.0
   95    94    98   100   0.15000  1.0 3.0
   95    94    98   101   0.15000  1.0 3.0
   95    94   102   103   0.15000  1.0 3.0
   95    94   102   104   0.15000  1.0 3.0
   95    94   102   105   0.15000  1.0 3.0
   98    94   102   103   0.15000  1.0 3.0
   98    94   102   104   0.15000  1.0 3.0
   98    94   102   105   0.56750  1.0 1.0
   98    94   102   105  -0.07550 -1.0 2.0
   98    94   102   105   0.20000  1.0 3.0
  102    94    98    99   0.15000  1.0 3.0
  102    94    98   100   0.15000  1.0 3.0
  102    94    98   101   0.15000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   108   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   108   0.15000  1.0 3.0
   57    54    55    56   7.00000 -1.0 2.0
   57    54    55    60   7.00000 -1.0 2.0
   57    62    65    66   3.00000 -1.0 2.0
   57    62    65    68   1.63150  1.0 1.0
   57    62    65    68   2.92000 -1.0 2.0
   58    57    62    65   0.08050  1.0 3.0
   59    57    62    65   0.08050  1.0 3.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.00000  1.0 1.0
   62    65    68    71   0.00000  1.0 1.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    49   0.23400  1.0 3.0
   52    46    47    54   1.05650  1.0 1.0
   52    46    47    54   0.15600 -1.0 2.0
   52    46    47    54   0.53150  1.0 3.0
   52    46    50    33   0.86500  1.0 1.0
   52    46    50    33  -0.17500 -1.0 2.0
   52    46    50    33   0.20800  1.0 3.0
   52    46    50    89   0.86500  1.0 1.0
   52    46    50    89  -0.17500 -1.0 2.0
   52    46    50    89   0.20800  1.0 3.0
   52    46    50    51   0.23400  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
   47    57    54    55   1.10000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   76    94    87    88  10.50000 -1.0 2.0
   62    68    65    66  10.50000 -1.0 2.0
END
