* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    203    329     610
    1     0 S   NP   _N1_     1    30.51968   102.05984   -17.92996
    2     1 S   H    _HN1     2     1.02782    98.14757  -111.00340
    3     1 S   H    _H1_     3     1.02834    37.55862    -1.33545
    4     1 S   H    _H2_     4     1.02975    76.73588   142.49733
    5     1 S   CT   _CA1     5     1.50663   144.24947    36.99744
    6     5 S   HC   _HA1     6     1.09672   104.39928   159.01346
    7     5 S   CO3  _C1_     7     1.54407   110.94737    43.82809
    8     7 S   O2Z  _O11     8     1.25932   116.85631  -129.03629
    9     7 S   O2Z  _O12     9     1.26639   113.75371    50.36670
   10     5 S   CT   _CB1    10     1.53211   106.83545   -84.93245
   11    10 S   HC   HB11    11     1.09842   109.78290   -40.32101
   12    10 S   HC   HB12    12     1.09761   110.27294    76.37312
   13    10 S   CT   _CG1    13     1.52944   112.53235  -160.85820
   14    13 S   HC   HG11    14     1.09439   111.03162   -65.46947
   15    13 S   HC   HG12    15     1.09473   109.50060    53.53489
   16    13 S   C    _CD1    16     1.51847   112.42873   173.88243
   17    16 S   O    _OE1    17     1.22762   123.31474    12.23823
   18    16 S   N    _N2_    18     1.38500   111.68707  -168.52024
   19    18 S   H    _HN2    19     1.01655   118.83058     4.19339
   20    18 S   CT1  _CA2    20     1.45737   123.37477   179.34240
   21    20 S   HC   _HA2    21     1.09656   109.79883    23.88850
   22    20 S   C    _C2_    22     1.52749   104.76651   -93.60647
   23    22 S   O    _O2_    23     1.22973   122.48352   -81.17230
   24    20 S   CT   _CB2    32     1.53318   111.74114   147.24543
   25    24 S   HC   HB21    33     1.09379   110.87336    50.26916
   26    24 S   HC   HB22    34     1.09580   109.63142   168.02220
   27    22 S   N    _N3_    24     1.38543   112.87995    94.71723
   28    27 S   H    _HN3    25     1.01529   119.65037     3.44543
   29    24 S   S    _SG2    35     1.83208   111.22822   -74.25623
   30    27 S   CT   _CA3    26     1.45418   122.78475   179.80416
   31    30 S   HC   HA31    27     1.09550   108.79846    33.36544
   32    30 S   HC   HA32    28     1.09484   107.22023   150.31226
   33    29 S   CT   _C29    36     1.86538   102.10704   118.94342
   34    30 S   CO3  _C3_    29     1.52990   113.59073   -89.73560
   35    34 S   O2Z  _O31    30     1.26373   115.69489   -37.51696
   36    34 S   O2Z  _O32    31     1.26404   114.79893   143.42227
   37    33 S   CM   _C8_    37     1.52170   108.06912   -62.35041
   38    37 S   HC   _H39    38     1.09407   112.51368   -50.21193
   39    33 S   CT   _C26    97     1.53655   108.43966    67.06160
   40    39 S   HC   _H59    98     1.09727   111.39294    53.88793
   41    39 S   HC   _H60    99     1.09642   111.09190   172.11544
   42    39 S   HC   _H61   100     1.09452   112.93444   -66.92224
   43    33 S   CT   _C27   101     1.54124   105.91824  -177.21048
   44    43 S   HC   _H62   102     1.09692   111.84870   -61.04009
   45    43 S   HC   _H63   103     1.09740   112.29793    60.25442
   46    43 S   HC   _H64   104     1.09732   110.67393   179.70859
   47    37 S   CMA  _C9_    39     1.35547   131.97102   131.04700
   48    47 S   OM   _O27    40     1.26471   127.06536    -0.47354
   49    47 S   OS   _O38    41     1.42109   109.67037  -177.64208
   50    49 S   CT   _C15    42     1.43411   115.91045  -125.27695
   51    50 S   HC   _H47    43     1.09214   111.54463   -31.92259
   52    50 S   CO4  _C7_    44     1.52834   108.85095    85.79213
   53    52 S   O    _O29    45     1.22779   123.43449   -30.54699
   54    50 S   CT   _C16    69     1.52293   107.61254  -155.24824
   55    54 S   HC   _H48    70     1.10448   105.29416   -51.52031
   56    52 S   OS   _O33    46     1.35659   116.21543   155.69262
   57    58 S   CT   _C22    71     1.52357   111.88875    42.22468
   58    56 S   CT   _C18    47     1.45705   123.61599   -35.77485
   59    58 S   HC   _H50    48     1.09617   105.75514   -78.65231
   60    57 S   CT   _C13    72     1.53369   115.13446  -156.38431
   61    60 S   HC   _H44    73     1.08682   116.12137   -89.00723
   62    60 S   HC   _H45    74     1.09551   112.12634    34.73616
   63    58 S   CT   _C12    49     1.53057   105.71198   166.85427
   64    63 S   HC   _H42    50     1.09476   110.56214   168.39439
   65    63 S   HC   _H43    51     1.09662   107.15177    52.59558
   66    95 S   OS   _O34    75     1.46394   106.24748   -53.87224
   67    63 S   CT   _C14    52     1.54582   111.22619   -67.19974
   68    67 S   HC   _H46    53     1.10134   106.48061    53.93969
   69    67 S   CM   _C5_    54     1.52970   115.55317   168.39805
   70    69 S   CM   _C4_    55     1.34719   121.43712   156.65862
   71    69 S   CT   _C24    93     1.50759   117.61025   -26.74473
   72    71 S   HC   _H53    94     1.09501   110.22560   -54.31072
   73    71 S   HC   _H54    95     1.09444   113.09756  -173.80796
   74    71 S   HC   _H55    96     1.09465   110.47407    66.29180
   75    70 S   CO4  _C6_    56     1.49015   120.73143    -0.14671
   76    75 S   O    _O28    57     1.23146   119.37556   176.56356
   77    70 S   OH   _O35    91     1.38038   122.27557   178.77763
   78    77 S   HO   _H68    92     0.97449   106.89088  -178.99868
   79    75 S   CT   _C11    58     1.51276   119.39479    -1.08426
   80    79 S   HC   _H40    59     1.09688   106.91105    95.60571
   81    79 S   HC   _H41    60     1.09635   107.32760  -148.85582
   82    67 S   CT   _C23    61     1.56681   109.90277   -62.39583
   83    82 S   CT   _C17    62     1.59241   108.13443    58.77115
   84    83 S   HC   _H49    63     1.09939   103.19852    62.29088
   85    82 S   CT   _C25    87     1.55304   110.36915   -67.09499
   86    85 S   HC   _H56    88     1.08857   113.06673    65.57590
   87    85 S   HC   _H57    89     1.09499   112.31306   -53.34059
   88    85 S   HC   _H58    90     1.09237   112.22916  -171.41853
   89    83 S   CT   _C19    64     1.56196   115.88084   174.96040
   90    89 S   HC   _H51    65     1.09614   108.44163   -63.03335
   91    89 S   CT   _C20    66     1.54464   112.12981   176.37410
   92    91 S   HC   _H52    67     1.09764   109.41082  -160.57217
   93    89 S   OH   _O36    85     1.42228   111.63749    54.16149
   94    93 S   HO   _H69    86     0.97228   108.00431  -175.98312
   95    91 S   CT   _C21    68     1.54456   111.92229   -40.10511
   96    91 S   OH   _O37    83     1.42167   108.50483    82.73471
   97    96 S   HO   _H70    84     0.97200   108.24172    64.26716
   98    95 S   CO4  _C10    76     1.52631   113.94121  -167.66963
   99    98 S   O    _O30    77     1.22630   124.22288   130.85942
  100    98 S   OS   _O39    78     1.36097   111.00954   -49.45174
  101   100 S   CT   _C28    79     1.43017   116.11895   178.66133
  102   101 S   HC   _H65    80     1.09302   107.98552   170.32244
  103   101 S   HC   _H66    81     1.09357   111.04810    51.25090
  104   101 S   HC   _H67    82     1.09374   109.72712   -71.20706
  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  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  14   7   9   3  21   8   9  21  16   6  11   4   3  11   5
   4   9  20   7  13  12   6   2   1   1   9   5   2   1  10   4
   3  10  13   5   4   2   1   1   9   6   9   5   3   1   6   2
   1   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    54  
   49    50  
   50    51    52    53    56    95    54    55    57  
   51    52    53    56    58    83    91    95    54    55    57    60    66    98  
   52    53    56    95    54    55    57  
   53    56    58    59    63    95    54    55    57  
   56    58    54  
   55    57    60    61    62    66    98    99   100    96    56    58    59    63    82    83    84    89    91    92    95  
   57    60    66    98    58    83    91    95  
   58    59    63    64    65    67    83    57    60  
   60    61    62    66    98    93    85    58    59    63    64    65    67    79    82    83    84    89    90    91    95  
   59    63    64    65    67    68    69    82    83    84    89    95    60    61    62    66  
   63    64    65    67    83    60  
   61    62    66    98    63    82    83    84    89    91    95  
   62    66    83    95  
   66    83    95  
   64    65    67    68    69    70    79    82    83    85    71  
   65    67    68    69    82  
   67    68    69    82  
   98    99   100    96    83    89    91    92    95  
   68    69    70    75    79    80    81    82    83    84    89    85    86    87    88    77    71    72    73    74  
   69    70    79    82    83    85    71  
   70    75    76    79    82    83    85    77    78    71    72    73    74  
   75    76    79    80    81    82    77    78    71    72    73    74  
   72    73    74    75    77    82  
   73    74  
   74  
    0  
   76    79    80    81    82    83    85    77    78  
   79    80    81    82    77  
   78    79  
    0  
   80    81    82    83    84    89    85    86    87    88  
   81    82    83    85  
   82    83    85  
   83    84    89    90    91    93    85    86    87    88  
   84    89    90    91    92    95    96    93    94    85    86    87    88  
   89    90    91    93    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90    91    92    95    98    96    97    93    94  
   91    92    95    96    93    94  
   92    95    98    99   100    96    97    93    94  
   95    98    96    97    93  
   94    95    96  
    0  
   98    99   100   101    96    97  
   97    98  
    0  
   99   100   101   102   103   104  
  100   101  
  101   102   103   104  
  102   103   104  
  103   104  
  104  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  101   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    56   214.000  1.327
   56    58   320.000  1.410
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    57   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    82   268.000  1.529
   69    70   549.000  1.340
   69    71   317.000  1.510
   70    75   320.000  1.462
   70    77   510.000  1.338
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   268.000  1.529
   82    85   268.000  1.529
   83    84   340.000  1.090
   83    89   268.000  1.529
   83    57   268.000  1.529
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    93   320.000  1.410
   91    92   340.000  1.090
   91    95   268.000  1.529
   91    96   320.000  1.410
   95    54   268.000  1.529
   95    66   320.000  1.410
   95    98   317.000  1.522
   54    55   340.000  1.090
   54    57   268.000  1.529
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   98    99   570.000  1.229
   98   100   214.000  1.327
  100   101   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   96    97   553.000  0.945
   93    94   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    78   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    90.00000  108.74100
   49    50    54    50.00000  109.50000
   50    52    53    80.00000  120.40000
   50    52    56    81.00000  111.40000
   50    54    95    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    58.35000  112.70000
   52    50    51    35.00000  109.50000
   52    56    58    83.00000  116.90000
   56    52    53    83.00000  123.40000
   56    58    59    35.00000  109.50000
   56    58    63    50.00000  109.50000
   56    58    57    50.00000  109.50000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    67    58.35000  112.70000
   58    57    83    58.35000  112.70000
   58    57    54    58.35000  112.70000
   58    57    60    58.35000  112.70000
   63    58    59    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    69    70.00000  112.02700
   63    67    82    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    69    70    70.00000  124.00000
   67    69    71    65.00000  117.92700
   67    82    79    58.35000  112.70000
   67    82    83    58.35000  112.70000
   67    82    85    58.35000  112.70000
   69    67    68    35.00000  109.50000
   69    70    75    65.00000  118.96000
   69    70    77    80.00000  121.38400
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   70    75    76    80.00000  123.72100
   70    75    79    65.00000  118.62400
   70    77    78    70.00000  107.45700
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    63.00000  111.10000
   79    75    76    80.00000  120.40000
   79    82    83    58.35000  112.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    67    68    37.50000  110.70000
   82    67    69    70.00000  112.02700
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    89    58.35000  112.70000
   82    83    57    58.35000  112.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    58.35000  112.70000
   83    89    93    50.00000  109.50000
   83    57    54    58.35000  112.70000
   83    57    60    58.35000  112.70000
   89    83    84    37.50000  110.70000
   89    91    92    37.50000  110.70000
   89    91    95    58.35000  112.70000
   89    91    96    50.00000  109.50000
   89    93    94    55.00000  108.50000
   91    89    90    37.50000  110.70000
   91    95    54    58.35000  112.70000
   91    95    66    50.00000  109.50000
   91    95    98    63.00000  111.10000
   91    96    97    55.00000  108.50000
   95    91    92    37.50000  110.70000
   95    54    55    37.50000  110.70000
   95    54    57    58.35000  112.70000
   95    66    60    60.00000  109.50000
   95    98    99    80.00000  120.40000
   95    98   100    81.00000  111.40000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   54    57    60    58.35000  112.70000
   57    58    59    37.50000  110.70000
   57    58    63    58.35000  112.70000
   57    83    84    37.50000  110.70000
   57    83    89    58.35000  112.70000
   57    54    55    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    66    50.00000  109.50000
   62    60    61    33.00000  107.80000
   66    95    54    50.00000  109.50000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   98    95    54    63.00000  111.10000
   98    95    66    90.00000  108.74100
   98   100   101    83.00000  116.90000
  100    98    99    83.00000  123.40000
  100   101   102    35.00000  109.50000
  100   101   103    35.00000  109.50000
  100   101   104    35.00000  109.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   96    91    92    35.00000  109.50000
   96    91    95    50.00000  109.50000
   93    89    90    35.00000  109.50000
   93    89    91    50.00000  109.50000
   85    82    83    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    70    75    85.00000  116.28000
   71    69    70    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
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   57    83   -89    91   0.20000  1.0 3.0
   57    83    89    93   0.86500  1.0 1.0
   57    83    89    93  -0.17500 -1.0 2.0
   57    83    89    93   0.20800  1.0 3.0
   57    60   -66    95   0.06250  1.0 1.0
   57    60   -66    95  -0.01100 -1.0 2.0
   57    60   -66    95   0.28050  1.0 3.0
   61    60    66    95   0.37050  1.0 3.0
   62    60    66    95   0.37050  1.0 3.0
   66    95    54    50   0.62750  1.0 1.0
   66    95    54    50  -0.30950 -1.0 2.0
   66    95    54    50   0.27300  1.0 3.0
   66    95    54    55   0.23400  1.0 3.0
   66    95   -54    57   0.62750  1.0 1.0
   66    95   -54    57  -0.30950 -1.0 2.0
   66    95   -54    57   0.27300  1.0 3.0
   66    95    98    99   0.30150 -1.0 2.0
   66    95    98   100   0.40000  1.0 3.0
   98    95    54    50  -0.95700  1.0 1.0
   98    95    54    50  -0.18200 -1.0 2.0
   98    95    54    50   0.29450  1.0 3.0
   98    95    54    55  -0.11250  1.0 3.0
   98    95    54    57  -0.95700  1.0 1.0
   98    95    54    57  -0.18200 -1.0 2.0
   98    95    54    57   0.29450  1.0 3.0
   98    95    66    60  -1.11000  1.0 1.0
   98    95    66    60   0.50250 -1.0 2.0
   98    95    66    60   0.47450  1.0 3.0
   98   100   101   102   0.08050  1.0 3.0
   98   100   101   103   0.08050  1.0 3.0
   98   100   101   104   0.08050  1.0 3.0
   99    98   100   101   3.00000 -1.0 2.0
   96    91    95    54   0.86500  1.0 1.0
   96    91    95    54  -0.17500 -1.0 2.0
   96    91    95    54   0.20800  1.0 3.0
   96    91    95    66   3.69350  1.0 1.0
   96    91    95    66  -1.82950 -1.0 2.0
   96    91    95    98  -0.09450  1.0 1.0
   96    91    95    98  -1.12950 -1.0 2.0
   96    91    95    98   0.54000  1.0 3.0
   93    89    91    92   0.23400  1.0 3.0
   93    89    91    95   0.86500  1.0 1.0
   93    89    91    95  -0.17500 -1.0 2.0
   93    89    91    95   0.20800  1.0 3.0
   93    89    91    96   3.75450  1.0 1.0
   85    82    83    84   0.15000  1.0 3.0
   85    82    83    89   0.56750  1.0 1.0
   85    82    83    89  -0.07550 -1.0 2.0
   85    82    83    89   0.20000  1.0 3.0
   85    82    83    57   0.56750  1.0 1.0
   85    82    83    57  -0.07550 -1.0 2.0
   85    82    83    57   0.20000  1.0 3.0
   77    70    75    76  -0.11900  1.0 1.0
   77    70    75    76   0.76850 -1.0 2.0
   77    70    75    76   0.14100  1.0 3.0
   77    70    75    79   0.32450 -1.0 2.0
   77    70    75    79   0.17400  1.0 3.0
   71    69    70    75   7.00000 -1.0 2.0
   71    69    70    77   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   50    56    52    53  10.50000 -1.0 2.0
   67    71    69    70   1.10000 -1.0 2.0
   75    77    70    69   1.10000 -1.0 2.0
   70    79    75    76  10.50000 -1.0 2.0
   95   100    98    99  10.50000 -1.0 2.0
END
