* LIGAND DATABASE FILE (OPLS2005)
*
001     114   118    224    350     658
    1     0 S   NP   _N1_     1    29.67275    92.69046   -25.56526
    2     1 S   H    _HN1     2     1.02803   106.90243  -123.92280
    3     1 S   H    _H1_     3     1.02942   101.78069   -10.48449
    4     1 S   H    _H2_     4     1.02837     6.47139   137.07341
    5     1 S   CT   _CA1     5     1.50093   116.56964   109.87639
    6     5 S   HC   _HA1     6     1.09571   105.26474    62.80502
    7     5 S   CO3  _C1_     7     1.53845   112.12710   -57.51898
    8     7 S   O2Z  _O11     8     1.26438   115.11897   -51.92413
    9     7 S   O2Z  _O12     9     1.26219   114.89534   127.15212
   10     5 S   CT   _CB1    10     1.53024   107.37733  -179.31130
   11    10 S   HC   HB11    11     1.09836   109.68759   -49.57595
   12    10 S   HC   HB12    12     1.09664   110.20801    66.89097
   13    10 S   CT   _CG1    13     1.52983   112.60557  -170.48816
   14    13 S   HC   HG11    14     1.09579   110.81865   -61.09665
   15    13 S   HC   HG12    15     1.09641   109.66720    58.11910
   16    13 S   C    _CD1    16     1.51767   111.88946   179.15559
   17    16 S   O    _OE1    17     1.22777   123.09674    15.56153
   18    16 S   N    _N2_    18     1.38685   112.02263  -165.50627
   19    18 S   H    _HN2    19     1.01561   119.20717     3.29200
   20    18 S   CT1  _CA2    20     1.46080   123.07920  -179.06414
   21    20 S   HC   _HA2    21     1.09561   108.97217     5.77068
   22    20 S   C    _C2_    22     1.53556   109.68847  -109.33743
   23    22 S   O    _O2_    23     1.23094   121.97590  -152.26688
   24    20 S   CT   _CB2    32     1.53577   112.00484   127.68936
   25    24 S   HC   HB21    33     1.09669   109.37996    70.84801
   26    24 S   HC   HB22    34     1.09545   110.72713  -172.27841
   27    22 S   N    _N3_    24     1.38231   113.97459    35.18027
   28    27 S   H    _HN3    25     1.01566   119.59208    -3.45491
   29    24 S   S    _SG2    35     1.82946   115.07405   -48.21329
   30    27 S   CT   _CA3    26     1.45282   123.26353   177.02830
   31    30 S   HC   HA31    27     1.09549   107.53737   -63.94964
   32    30 S   HC   HA32    28     1.09555   107.96318    52.49529
   33    29 S   CT   _C19    36     1.83545   101.00269   -65.92491
   34    33 S   HC   _H3_    37     1.09370   109.08984    33.79999
   35    30 S   CO3  _C3_    29     1.52967   114.05017   174.47267
   36    35 S   O2Z  _O31    30     1.26381   116.06563    -0.59017
   37    35 S   O2Z  _O32    31     1.26421   114.42127   179.47029
   38    33 S   CM   _C4_    38     1.50946   107.30811   152.04008
   39    38 S   HC   _H40    39     1.08785   118.08285    57.27390
   40    33 S   CT   _C11    94     1.53416   110.12996   -86.30631
   41    40 S   HC   _H45    95     1.09604   110.85411    59.45239
   42    40 S   HC   _H46    96     1.09793   110.14373   -60.80205
   43    38 S   CM   _C5_    40     1.34258   122.43363  -125.21902
   44    43 S   HC   _H41    41     1.08776   118.80714     0.57061
   45    43 S   CT   _C20    42     1.50508   124.44322  -176.48431
   46    45 S   HC   _H61    43     1.09856   108.46950    -1.47817
   47    45 S   OS   _O36    44     1.43333   105.41226   115.33504
   48    45 S   CT   _C32   107     1.54501   112.52802  -121.89905
   49    48 S   HC   _H78   108     1.09560   108.82873   176.22446
   50    47 S   CT   _C15    45     1.42194   114.00006  -164.08331
   51    50 S   HC   _H53    46     1.09452   110.62601    49.08356
   52    50 S   HC   _H54    47     1.09500   109.21891   -69.78558
   53    48 S   CT   _C31   109     1.52611   114.41159   -63.28790
   54    53 S   HC   _H75   110     1.09399   111.62683    65.31232
   55    53 S   HC   _H76   111     1.09382   111.62909   -56.80995
   56    53 S   HC   _H77   112     1.09564   110.13602  -176.97599
   57    48 S   OH   _O40   113     1.42721   109.10259    60.24486
   58    57 S   HO   _H80   114     0.97564   108.07794  -177.69013
   59    50 S   CT   _C13    48     1.52773   109.27386   171.79941
   60    59 S   HC   _H49    49     1.09816   108.22965    58.04345
   61    59 S   HC   _H50    50     1.09736   108.31695   173.27953
   62    59 S   CT   _C22    51     1.55241   115.75415   -63.08535
   63    62 S   HC   _H63    52     1.09790   108.72995    67.73209
   64    62 S   CT   _C21    53     1.54285   112.83013   -52.31316
   65    64 S   HC   _H62    54     1.09587   110.29871    71.52245
   66    62 S   CT   _C29   103     1.53818   107.53050  -176.45017
   67    66 S   HC   _H69   104     1.09525   111.37820    66.83399
   68    66 S   HC   _H70   105     1.09561   110.69095   -53.24411
   69    66 S   HC   _H71   106     1.09422   111.63636  -172.20558
   70    64 S   CO4  _C9_    55     1.52197   115.31092  -166.56540
   71    70 S   O    _O33    56     1.22715   123.09906   128.96785
   72    64 S   OH   _O39   101     1.42759   109.16333   -46.27369
   73    72 S   HO   _H79   102     0.97312   107.54797   177.06255
   74    70 S   OS   _O34    57     1.36819   111.86824   -52.84347
   75    74 S   CT   _C16    58     1.43422   113.64249   178.81205
   76    75 S   HC   _H55    59     1.09729   108.30728    60.66289
   77    75 S   HC   _H56    60     1.09510   106.58307   -54.25902
   78    75 S   CT   _C25    61     1.56816   115.07283  -176.71056
   79    78 S   CT   _C12    62     1.57022   105.57611  -179.26246
   80    79 S   HC   _H47    63     1.09242   110.70825   179.95154
   81    79 S   HC   _H48    64     1.09564   111.00021    61.79451
   82    78 S   CT   _C26    81     1.61045   112.47377   -56.83955
   83    79 S   CT   _C10    65     1.53740   114.02718   -61.19453
   84    83 S   HC   _H43    66     1.09727   108.09619  -163.15094
   85    83 S   HC   _H44    67     1.09652   109.99152    81.14594
   86   105 S   C3T  _C27    82     1.48450   109.91210   -60.02618
   87    82 S   CT   _C30    87     1.53262   112.55525   -53.52144
   88    87 S   HC   _H72    88     1.09399   111.68591   -57.73994
   89    87 S   HC   _H73    89     1.09464   112.47451  -177.03047
   90    87 S   HC   _H74    90     1.09429   111.35409    63.53072
   91    83 S   CM   _C7_    68     1.50592   113.51899   -41.49481
   92    86 S   C3T  _C17    83     1.51530   120.49455  -142.67516
   93    92 S   HC   _H57    84     1.08044   120.67149  -147.08138
   94    92 S   HC   _H58    85     1.08304   118.74895     3.03222
   95    91 S   CM   _C6_    69     1.34384   121.95347    10.66158
   96    95 S   HC   _H42    70     1.08757   119.54880  -178.50002
   97    86 S   O3T  _O37    86     1.41841   119.88542   -73.75706
   98    91 S   CT   _C28    97     1.50017   116.10003  -169.24651
   99    98 S   HC   _H66    98     1.09481   110.22461   -59.27195
  100    98 S   HC   _H67    99     1.09505   112.17430  -179.29362
  101    98 S   HC   _H68   100     1.09476   110.31862    60.58850
  102    78 S   CT   _C18    71     1.56543   111.23163    65.24911
  103   102 S   HC   _H59    72     1.09654   109.71091   -48.65181
  104   102 S   OS   _O38    73     1.44117   112.37060  -169.29522
  105   104 S   CT   _C24    74     1.43201   116.32390    48.19654
  106   105 S   HC   _H65    75     1.09400   108.09880   174.91820
  107   105 S   CT   _C14    76     1.53075   111.72580    51.43142
  108   107 S   HC   _H51    77     1.09607   109.55158   152.69150
  109   107 S   HC   _H52    78     1.09458   112.06212    32.39279
  110   107 S   CT   _C23    79     1.55903   104.65169   -88.57115
  111   110 S   HC   _H64    80     1.08970   110.81174   123.68624
  112   110 S   OS   _O35    91     1.44649   110.00133  -117.79342
  113   112 S   CO4  _C8_    92     1.36470   116.96233   -69.31503
  114   113 S   O    _O30    93     1.22306   125.48745     8.36347
  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
  12   7   2   1   1  11   4   7   4   3   9   4  14   6  11   8
   6   9   5   4   5   3   2   1   1   1  12   5   4  12   8  11
   6   5   2   1   1   8   3   2   1   7  15   5   4  25  15   7
   6  23  10   4   3  18  11   3   2   1   9   8   3   2   9   4
   5   4   2   1   1   6   2   6   7   4   6   4   3   4   2   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43   113    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45   112   113   114    40    41    42  
   38    39    43   113    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    47   113    40    41    42    48  
   43    44    45    40  
   41    42    43   110   112   113   114  
   42   112   113   114  
  112   113   114  
   44    45    46    47    50    48    49    53    57  
   45    46    47    48  
   46    47    50    51    52    59    48    49    53    54    55    56    57    58  
   47    50    48    49    53    57  
   50    51    52    59    60    61    62    48    49    53    57  
   49    53    54    55    56    57    58    50  
   53    54    55    56    57    58  
   51    52    59    60    61    62    63    64    66  
   52    59    60    61    62  
   59    60    61    62  
   54    55    56    57    58  
   55    56    57  
   56    57  
   57  
   58  
    0  
   60    61    62    63    64    65    70    72    66    67    68    69  
   61    62    63    64    66  
   62    63    64    66  
   63    64    65    70    71    74    72    73    66    67    68    69  
   64    65    70    72    66    67    68    69  
   65    70    71    74    75    72    73    66    67    68    69  
   70    71    74    72    73    66  
   67    68    69    70    72  
   68    69  
   69  
    0  
   71    74    75    76    77    78    72    73  
   74    75    72  
   73    74  
    0  
   75    76    77    78    79   102    82  
   76    77    78    79    80    81    83    95   102   103   104   110    82    86    87  
   77    78    79   102    82  
   78    79   102    82  
   79    80    81    83    84    85    91    95    96   102   103   104   105   107   110   111    82    86    92    97    87    88    89    90   112  
   80    81    83    84    85    91    95   102   103   104   110    82    86    87    98  
   81    83    84    85    91   102    82  
   83    84    85    91   102    82  
   86    92    93    94    97    87    88    89    90   112   113    83    95   102   103   104   105   106   107   108   109   110   111  
   84    85    91    95    96   102    98    99   100   101  
   85    91    95    98  
   91    95    98  
   92    93    94    97    87    88    89    90   112   102   104   105   106   107   108   109   110   111  
   88    89    90   112    92    97   102   105   107   110   111  
   89    90   110  
   90   110  
  110  
   95    96   102   103   104    98    99   100   101  
   93    94    97   104   105   106   107   110  
   94    97   105  
   97   105  
   96   102   103   104   105    98    99   100   101  
  102   103   104    98  
  104   105   106   107   110  
   99   100   101   102  
  100   101  
  101  
    0  
  103   104   105   106   107   110  
  104   105  
  105   106   107   108   109   110  
  106   107   108   109   110   111   112  
  107   108   109   110  
  108   109   110   111   112   113  
  109   110   111   112  
  110   111   112  
  111   112   113   114  
  112   113  
  113   114  
  114  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   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   0.239000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  104   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  112   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  113   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    45   317.000  1.510
   45    46   340.000  1.090
   45    47   320.000  1.410
   45    48   268.000  1.529
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   268.000  1.529
   64    65   340.000  1.090
   64    70   317.000  1.522
   64    72   320.000  1.410
   70    71   570.000  1.229
   70    74   214.000  1.327
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78   102   268.000  1.529
   78    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   317.000  1.510
   91    95   549.000  1.340
   91    98   317.000  1.510
   95    96   340.000  1.080
   95   102   317.000  1.510
  102   103   340.000  1.090
  102   104   320.000  1.410
  104   105   320.000  1.410
  105   106   340.000  1.090
  105   107   268.000  1.529
  105    86   275.000  1.510
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110    82   268.000  1.529
  110   112   320.000  1.410
   82    86   275.000  1.510
   82    87   268.000  1.529
   86    92   260.000  1.509
   86    97   335.000  1.432
   92    93   340.000  1.088
   92    94   340.000  1.088
   92    97   335.000  1.432
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
  112   113   214.000  1.327
  113   114   570.000  1.229
  113    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   72    73   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   48    49   340.000  1.090
   48    53   268.000  1.529
   48    57   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40   113    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    45    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    45    46    35.00000  109.50000
   43    45    47    85.00000  110.90400
   43    45    48    70.00000  112.02700
   45    43    44    35.00000  117.00000
   45    47    50    60.00000  109.50000
   45    48    49    37.50000  110.70000
   45    48    53    58.35000  112.70000
   45    48    57    50.00000  109.50000
   47    45    46    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    59    50.00000  109.50000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    66    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    70    63.00000  111.10000
   62    64    72    50.00000  109.50000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   64    62    63    37.50000  110.70000
   64    70    71    80.00000  120.40000
   64    70    74    81.00000  111.40000
   64    72    73    55.00000  108.50000
   70    64    65    35.00000  109.50000
   70    74    75    83.00000  116.90000
   74    70    71    83.00000  123.40000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    50.00000  109.50000
   75    78    79    58.35000  112.70000
   75    78   102    58.35000  112.70000
   75    78    82    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    83    58.35000  112.70000
   78   102    95    70.00000  112.02700
   78   102   103    37.50000  110.70000
   78   102   104    50.00000  109.50000
   78    82   110    58.35000  112.70000
   78    82    86    70.00000  112.37300
   78    82    87    58.35000  112.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    91    70.00000  112.02700
   81    79    80    33.00000  107.80000
   83    79    80    37.50000  110.70000
   83    79    81    37.50000  110.70000
   83    91    95    70.00000  124.00000
   83    91    98    65.00000  117.92700
   85    83    84    33.00000  107.80000
   91    83    84    35.00000  109.50000
   91    83    85    35.00000  109.50000
   91    95    96    35.00000  120.00000
   91    95   102    70.00000  124.00000
   91    98    99    35.00000  109.50000
   91    98   100    35.00000  109.50000
   91    98   101    35.00000  109.50000
   95   102   103    35.00000  109.50000
   95   102   104    85.00000  110.90400
  102    78    79    58.35000  112.70000
  102    95    96    35.00000  117.00000
  102   104   105    60.00000  109.50000
  104   102   103    35.00000  109.50000
  104   105   106    35.00000  109.50000
  104   105   107    50.00000  109.50000
  104   105    86    50.00000  109.50000
  105   107   108    37.50000  110.70000
  105   107   109    37.50000  110.70000
  105   107   110    58.35000  112.70000
  105    86    82    58.35000  112.70000
  105    86    92    60.00000  120.94000
  105    86    97    80.00000  116.47100
  107   105   106    37.50000  110.70000
  107   110   111    37.50000  110.70000
  107   110    82    58.35000  112.70000
  107   110   112    50.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  110    82    86    70.00000  112.37300
  110    82    87    58.35000  112.70000
  110   112   113    83.00000  116.90000
   82    78    79    58.35000  112.70000
   82    78   102    58.35000  112.70000
   82   110   111    37.50000  110.70000
   82    86    92    60.00000  120.94000
   82    86    97    80.00000  116.47100
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    90    37.50000  110.70000
   86   105   106    45.00000  109.38400
   86   105   107    70.00000  112.37300
   86    92    93    37.50000  117.20000
   86    92    94    37.50000  117.20000
   86    92    97    15.00000   60.43100
   86    97    92    15.00000   59.14900
   94    92    93    35.00000  114.30000
   97    86    92    15.00000   60.43100
   97    92    93    50.00000  114.27700
   97    92    94    50.00000  114.27700
   87    82    86    70.00000  112.37300
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
  112   110   111    35.00000  109.50000
  112   110    82    50.00000  109.50000
  112   113   114    83.00000  123.40000
  112   113    40    81.00000  111.40000
  113    40    41    35.00000  109.50000
  113    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   113   114    80.00000  120.40000
   42    40    41    33.00000  107.80000
   98    91    95    70.00000  124.00000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   72    64    65    35.00000  109.50000
   72    64    70    90.00000  109.61100
   66    62    63    37.50000  110.70000
   66    62    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    50.00000  109.50000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   48    57    58    55.00000  108.50000
   53    48    49    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    48    49    35.00000  109.50000
   57    48    53    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
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  105   107   110   112  -0.30950 -1.0 2.0
  105   107   110   112   0.27300  1.0 3.0
  105    86    92    93   0.15000  1.0 3.0
  105    86    92    94   0.15000  1.0 3.0
  105    86   -92    97   0.02550  1.0 1.0
  105    86   -92    97  -0.02600 -1.0 2.0
  105    86   -92    97   1.20400  1.0 3.0
  105    86   -97    92   0.06250  1.0 1.0
  105    86   -97    92  -0.01100 -1.0 2.0
  105    86   -97    92   0.28050  1.0 3.0
  106   105   107   108   0.15000  1.0 3.0
  106   105   107   109   0.15000  1.0 3.0
  106   105   107   110   0.15000  1.0 3.0
  106   105    86    82   0.15000  1.0 3.0
  106   105    86    92   0.15000  1.0 3.0
  106   105    86    97   0.23400  1.0 3.0
  107   105   -86    82   0.56750  1.0 1.0
  107   105   -86    82  -0.07550 -1.0 2.0
  107   105   -86    82   0.20000  1.0 3.0
  107   105    86    92   0.07850  1.0 1.0
  107   105    86    92  -0.03950 -1.0 2.0
  107   105    86    92   0.67350  1.0 3.0
  107   105    86    97   0.02550  1.0 1.0
  107   105    86    97  -0.02600 -1.0 2.0
  107   105    86    97   1.20400  1.0 3.0
  107   110    82    78   0.56750  1.0 1.0
  107   110    82    78  -0.07550 -1.0 2.0
  107   110    82    78   0.20000  1.0 3.0
  107   110   -82    86   0.47050  1.0 1.0
  107   110   -82    86   0.03900 -1.0 2.0
  107   110   -82    86   0.20100  1.0 3.0
  107   110    82    87   0.56750  1.0 1.0
  107   110    82    87  -0.07550 -1.0 2.0
  107   110    82    87   0.20000  1.0 3.0
  107   110   112   113  -0.25900  1.0 1.0
  107   110   112   113  -0.47000 -1.0 2.0
  107   110   112   113   0.11750  1.0 3.0
  108   107   110   111   0.15000  1.0 3.0
  108   107   110    82   0.15000  1.0 3.0
  108   107   110   112   0.23400  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  109   107   110    82   0.15000  1.0 3.0
  109   107   110   112   0.23400  1.0 3.0
  110    82   -86   105   0.56750  1.0 1.0
  110    82   -86   105  -0.07550 -1.0 2.0
  110    82   -86   105   0.20000  1.0 3.0
  110    82    86    92   0.07850  1.0 1.0
  110    82    86    92  -0.03950 -1.0 2.0
  110    82    86    92   0.67350  1.0 3.0
  110    82    86    97   0.02550  1.0 1.0
  110    82    86    97  -0.02600 -1.0 2.0
  110    82    86    97   1.20400  1.0 3.0
  110    82    87    88   0.15000  1.0 3.0
  110    82    87    89   0.15000  1.0 3.0
  110    82    87    90   0.15000  1.0 3.0
  110   112   113   114   3.00000 -1.0 2.0
  110   112   113    40   1.63150  1.0 1.0
  110   112   113    40   2.92000 -1.0 2.0
  111   110    82    78   0.15000  1.0 3.0
  111   110    82    86   0.15000  1.0 3.0
  111   110    82    87   0.15000  1.0 3.0
  111   110   112   113   0.08050  1.0 3.0
   82    78    79    80   0.15000  1.0 3.0
   82    78    79    81   0.15000  1.0 3.0
   82    78    79    83   0.56750  1.0 1.0
   82    78    79    83  -0.07550 -1.0 2.0
   82    78    79    83   0.20000  1.0 3.0
   82    78   102    95   0.34400  1.0 1.0
   82    78   102    95   0.09450 -1.0 2.0
   82    78   102    95   0.11100  1.0 3.0
   82    78   102   103   0.15000  1.0 3.0
   82    78  -102   104   0.62750  1.0 1.0
   82    78  -102   104  -0.30950 -1.0 2.0
   82    78  -102   104   0.27300  1.0 3.0
   82   110   112   113  -0.25900  1.0 1.0
   82   110   112   113  -0.47000 -1.0 2.0
   82   110   112   113   0.11750  1.0 3.0
   82    86    92    93   0.15000  1.0 3.0
   82    86    92    94   0.15000  1.0 3.0
   82    86   -92    97   0.02550  1.0 1.0
   82    86   -92    97  -0.02600 -1.0 2.0
   82    86   -92    97   1.20400  1.0 3.0
   82    86   -97    92   0.06250  1.0 1.0
   82    86   -97    92  -0.01100 -1.0 2.0
   82    86   -97    92   0.28050  1.0 3.0
   86   105   107   108   0.15000  1.0 3.0
   86   105   107   109   0.15000  1.0 3.0
   86   105  -107   110   0.47050  1.0 1.0
   86   105  -107   110   0.03900 -1.0 2.0
   86   105  -107   110   0.20100  1.0 3.0
   86    82    87    88   0.15000  1.0 3.0
   86    82    87    89   0.15000  1.0 3.0
   86    82    87    90   0.15000  1.0 3.0
   93    92   -97    86   0.36800  1.0 3.0
   94    92   -97    86   0.36800  1.0 3.0
   97    86   -92    93   0.23400  1.0 3.0
   97    86   -92    94   0.23400  1.0 3.0
   87    82    86   105   0.56750  1.0 1.0
   87    82    86   105  -0.07550 -1.0 2.0
   87    82    86   105   0.20000  1.0 3.0
   87    82    86    92   0.07850  1.0 1.0
   87    82    86    92  -0.03950 -1.0 2.0
   87    82    86    92   0.67350  1.0 3.0
   87    82    86    97   0.02550  1.0 1.0
   87    82    86    97  -0.02600 -1.0 2.0
   87    82    86    97   1.20400  1.0 3.0
  112   110    82    78   0.62750  1.0 1.0
  112   110    82    78  -0.30950 -1.0 2.0
  112   110    82    78   0.27300  1.0 3.0
  112   110    82    86  -0.26800  1.0 1.0
  112   110    82    86   0.69150 -1.0 2.0
  112   110    82    86  -0.48750  1.0 3.0
  112   110    82    87   0.62750  1.0 1.0
  112   110    82    87  -0.30950 -1.0 2.0
  112   110    82    87   0.27300  1.0 3.0
  112   113    40    33   0.36750  1.0 3.0
  112   113    40    41   0.00000  1.0 1.0
  112   113    40    42   0.00000  1.0 1.0
  114   113    40    33   0.30150 -1.0 2.0
  114   113    40    41   0.00000  1.0 1.0
  114   113    40    42   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   98    91    95    96   7.00000 -1.0 2.0
   98    91    95   102   7.00000 -1.0 2.0
   72    64    70    71   0.30150 -1.0 2.0
   72    64    70    74   0.30750  1.0 1.0
   72    64    70    74   1.13850 -1.0 2.0
   72    64    70    74   0.38850  1.0 3.0
   66    62    64    65   0.15000  1.0 3.0
   66    62    64    70  -0.95700  1.0 1.0
   66    62    64    70  -0.18200 -1.0 2.0
   66    62    64    70   0.29450  1.0 3.0
   66    62    64    72   0.86500  1.0 1.0
   66    62    64    72  -0.17500 -1.0 2.0
   66    62    64    72   0.20800  1.0 3.0
   48    45    47    50   0.06250  1.0 1.0
   48    45    47    50  -0.01100 -1.0 2.0
   48    45    47    50   0.28050  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   49    48    57    58   0.19450  1.0 3.0
   53    48    57    58  -0.11600  1.0 1.0
   53    48    57    58  -0.09450 -1.0 2.0
   53    48    57    58   0.21250  1.0 3.0
   57    48    53    54   0.23400  1.0 3.0
   57    48    53    55   0.23400  1.0 3.0
   57    48    53    56   0.23400  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   45    44    43    38   1.10000 -1.0 2.0
   64    74    70    71  10.50000 -1.0 2.0
   83    98    91    95   1.10000 -1.0 2.0
  102    96    95    91   1.10000 -1.0 2.0
  112    40   113   114  10.50000 -1.0 2.0
END
