* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    206    324     615
    1     0 S   NP   _N1_     1    28.48967    95.13044   -21.76681
    2     1 S   H    _HN1     2     1.02779    91.74933   -80.76257
    3     1 S   H    _H1_     3     1.02957    87.36710    27.51061
    4     1 S   H    _H2_     4     1.02837    31.66062   156.84134
    5     1 S   CT   _CA1     5     1.50125   142.17811   148.17682
    6     5 S   HC   _HA1     6     1.09569   105.24438    64.09347
    7     5 S   CO3  _C1_     7     1.53817   112.31659   -56.17375
    8     7 S   O2Z  _O11     8     1.26372   115.00261   -44.06584
    9     7 S   O2Z  _O12     9     1.26221   114.96297   135.11967
   10     5 S   CT   _CB1    10     1.53101   107.42259  -177.92170
   11    10 S   HC   HB11    11     1.09821   109.45521   -49.57293
   12    10 S   HC   HB12    12     1.09818   110.38348    67.01624
   13    10 S   CT   _CG1    13     1.52993   112.63222  -170.62053
   14    13 S   HC   HG11    14     1.09523   110.48081   -61.09318
   15    13 S   HC   HG12    15     1.09647   110.00294    57.95740
   16    13 S   C    _CD1    16     1.51838   112.27579   178.13544
   17    16 S   O    _OE1    17     1.22720   123.24941    -7.18078
   18    16 S   N    _N2_    18     1.38560   111.65232   173.51929
   19    18 S   H    _HN2    19     1.01629   118.90148    -0.26980
   20    18 S   CT1  _CA2    20     1.46234   123.56766   179.39477
   21    20 S   HC   _HA2    21     1.09725   109.49729    -8.07643
   22    20 S   C    _C2_    22     1.53455   108.28859  -123.74752
   23    22 S   O    _O2_    23     1.23023   122.20367  -145.54695
   24    20 S   CT   _CB2    32     1.53326   111.20324   114.14574
   25    24 S   HC   HB21    33     1.09469   109.49953    54.29182
   26    24 S   HC   HB22    34     1.09505   110.78270   172.89052
   27    22 S   N    _N3_    24     1.38495   113.43145    41.81290
   28    27 S   H    _HN3    25     1.01517   118.92117    -0.76617
   29    24 S   S    _SG2    35     1.82797   111.65130   -67.72643
   30    27 S   CT   _CA3    26     1.45459   123.53011   175.14530
   31    30 S   HC   HA31    27     1.09518   109.32819    22.51836
   32    30 S   HC   HA32    28     1.09499   107.09483   139.53578
   33    29 S   CT   _C19    36     1.83397    99.56335   158.52949
   34    33 S   HC   _H7_    37     1.09589   104.33894    50.75917
   35    30 S   CO3  _C3_    29     1.52923   113.06796  -101.02564
   36    35 S   O2Z  _O31    30     1.26406   115.39248   -44.63164
   37    35 S   O2Z  _O32    31     1.26354   114.99375   136.29160
   38    33 S   CT   _C20    38     1.54578   115.95879   -70.23060
   39    38 S   HC   _H8_    39     1.09882   107.56037    85.72595
   40    38 S   CT   _C16    40     1.55829   111.72404  -154.61955
   41    40 S   HC   _H4_    41     1.09747   107.72369    85.13192
   42    38 S   CO4  _C21   105     1.52722   113.27110   -30.90510
   43    42 S   O    _O35   106     1.22572   122.98525   115.07827
   44    40 S   CT   _C17    42     1.55181   111.22302   -30.35114
   45    44 S   HC   _H5_    43     1.09720   107.92452   172.60986
   46    40 S   CT   _C15    75     1.54866   110.86453  -158.20426
   47    46 S   HC   _H23    76     1.09655   109.09026    77.49547
   48    46 S   HC   _H24    77     1.09609   109.46052   -36.06094
   49    42 S   OS   _O36   107     1.36255   111.31343   -64.69864
   50    44 S   CO   _C18    44     1.55625   110.05111    55.08119
   51    50 S   HC   _H6_    45     1.09762   110.53688  -139.55477
   52    44 S   CM   _C29    70     1.51675   113.42575   -69.62852
   53    52 S   HC   _H34    71     1.08643   118.48846    58.01596
   54    46 S   CT   _C14    78     1.55319   114.24593  -158.76763
   55    54 S   HC   _H3_    79     1.09235   108.84897   -53.06562
   56    49 S   CT   _C22   108     1.43027   115.72983  -179.35959
   57    56 S   HC   _H25   109     1.09323   108.06811   168.41382
   58    56 S   HC   _H26   110     1.09440   111.04150    49.52278
   59    56 S   HC   _H27   111     1.09294   109.56820   -73.27365
   60    33 S   OS   _O34    46     1.42814   110.35808   165.82876
   61    50 S   OS1  _O37    47     1.43561   106.73812   102.76941
   62    52 S   CM   _C30    72     1.33888   123.73180  -121.92865
   63    62 S   HC   _H35    73     1.08486   120.45917   179.97202
   64    62 S   HC   _H36    74     1.08457   121.70560    -0.09691
   65    54 S   CA   _C13    80     1.52724   109.76154  -169.67829
   66    54 S   N    _N4_    94     1.48528   111.80597    67.57824
   67    61 S   CO1  _C23    48     1.43224   113.22316   169.79201
   68    67 S   HC   _H9_    49     1.09775   108.90884    51.05054
   69    65 S   CA   _C12    81     1.40597   119.31100    73.17906
   70    69 S   HA   _H22    82     1.08734   119.68235     0.93941
   71    66 S   C    _C5_    95     1.39568   126.10012  -113.78310
   72    71 S   O    _O33    96     1.23418   123.68989  -177.54473
   73    67 S   CT   _C24    50     1.53366   107.26489   170.13869
   74    73 S   HC   _H10    51     1.09685   109.98338    53.03966
   75    69 S   CA   _C11    83     1.39426   120.35217  -178.94260
   76    71 S   CT   _C4_    97     1.50625   117.37771     1.90865
   77    76 S   HC   _H14    98     1.08952   110.31362    63.50149
   78    76 S   HC   _H15    99     1.09269   110.54861   -59.46481
   79    76 S   HC   _H16   100     1.09465   109.30006  -178.04836
   80    73 S   CT   _C25    52     1.53088   111.12744   174.92580
   81    80 S   HC   _H11    53     1.09667   110.22872    73.56029
   82    73 S   OH5  _O42    68     1.42925   110.04722   -63.69505
   83    82 S   HO   _H33    69     0.97238   108.22275   -58.80189
   84    75 S   CA   _C10    84     1.39068   120.22571    -0.25179
   85    75 S   OH   _O43   103     1.36730   120.44689   179.82306
   86    85 S   HO   _H37   104     0.97195   108.81442     0.00000
   87    80 S   CT   _C26    54     1.53214   111.32836   -49.12565
   88    87 S   HC   _H12    55     1.09705   109.04054   -71.54822
   89    80 S   OH5  _O41    66     1.42946   109.65832  -170.54969
   90    89 S   HO   _H32    67     0.97239   108.14252    60.33800
   91    84 S   CA   _C9_    85     1.39408   120.22134    -0.11191
   92    91 S   HA   _H21    86     1.08734   120.14105  -179.05415
   93    84 S   OH   _O44   101     1.36732   119.32420  -179.77619
   94    93 S   HO   _H38   102     0.97201   108.76807   179.96044
   95    87 S   CT   _C27    56     1.53251   110.71117    49.68026
   96    95 S   HC   _H13    57     1.09836   110.94006    64.30828
   97    87 S   OH5  _O40    64     1.42597   109.69681   171.62389
   98    97 S   HO   _H31    65     0.97257   108.19827   -57.88814
   99    65 S   CA   _C8_    87     1.41134   121.40620  -105.91747
  100    67 S   OS1  _O38    58     1.42846   110.72691   -70.16574
  101    95 S   CT   _C28    59     1.52971   111.56360  -174.89378
  102   101 S   HC   _H28    60     1.09501   111.01196    69.29572
  103   101 S   HC   _H29    61     1.09397   111.55773   -53.12543
  104    99 S   CT   _C7_    88     1.51050   121.31827    -4.27068
  105   104 S   HC   _H19    89     1.09617   110.26823   140.48258
  106   104 S   HC   _H20    90     1.09747   107.61557  -102.14002
  107   101 S   OH5  _O39    62     1.42513   109.01837  -172.07311
  108   107 S   HO   _H30    63     0.97244   107.00460  -178.51826
  109   104 S   CT   _C6_    91     1.52454   112.68808    18.36064
  110   109 S   HC   _H17    92     1.09445   110.96811    74.09606
  111   109 S   HC   _H18    93     1.09492   109.58916  -168.44098
  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   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  15   8  12   5   4
   4  10   4   6   3  15   6   3   2   1   1   2   8   2   1   1
  14  14  13   6   9   4   9   5  12   7   8   4   2   1   1  13
   7   4   1   8   3   1  12   7   3   1   8   3   2   1   9   6
   3   1   6   4   4   3   2   5   4   3   1   1   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    62    46    47    48    54    55    65    66    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    67    52    53    62    63    64    46    47    48    54  
   50    51    60    61    52    53    62    46  
   47    48    54    55    65    69    99   109    66    71    50    52  
   48    54    55    65    66  
   54    55    65    66  
   56    57    58    59  
   51    60    61    67    68    73   100    52    53    62  
   60    61    67    52  
   53    62    63    64    60    61  
   62    63    64  
   55    65    69    70    75    91    99   104   109   110   111    66    71    72    76  
   65    69    99   109    66    71  
   57    58    59  
   58    59  
   59  
    0  
   61    67  
   67    68    73    74    80    95   100    82  
   63    64  
   64  
    0  
   69    70    75    84    91    92    99   104   105   106   109    66    71    85  
   71    72    76    77    78    79    69    99   104   105   106   109   110   111  
   68    73    74    80    81    87    95    96   100   101    89    82    83  
   73    74    80    95   100    82  
   70    75    84    91    99   104    93    85    86  
   75    84    99    85  
   72    76    77    78    79   104   109   110   111  
   76    77    78    79   109  
   74    80    81    87    88    95   100    97    89    90    82    83  
   80    81    87   100    89    82    83  
   84    91    92    99    93    94    85    86  
   77    78    79   109  
   78    79  
   79  
    0  
   81    87    88    95    96   100   101    97    98    89    90    82    83  
   87    88    95    97    89    90    82  
   83    87    89   100  
    0  
   91    92    99   104    93    94    85    86  
   86    91    93  
    0  
   88    95    96   100   101   102   103   107    97    98    89    90  
   95    96   100   101    97    98    89  
   90    95    97  
    0  
   92    99   104   105   106   109    93    94  
   99   104    93  
   94    99  
    0  
   96   100   101   102   103   107   108    97    98  
  100   101   102   103   107    97  
   98   100   101  
    0  
  104   105   106   109   110   111  
  101   102   103   107  
  102   103   107   108  
  103   107   108  
  107   108  
  105   106   109   110   111  
  106   109   110   111  
  109   110   111  
  108  
    0  
  110   111  
  111  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.125000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
  100   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  101   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  109   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   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    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    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   320.000  1.380
   61    67   370.000  1.399
   67    68   360.000  1.097
   67    73   255.000  1.525
   67   100   370.000  1.399
   73    74   340.000  1.090
   73    80   268.000  1.529
   73    82   355.000  1.421
   80    81   340.000  1.090
   80    87   268.000  1.529
   80    89   355.000  1.421
   87    88   340.000  1.090
   87    95   268.000  1.529
   87    97   355.000  1.421
   95    96   340.000  1.090
   95   100   335.000  1.422
   95   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   107   355.000  1.421
  107   108   580.000  0.967
   97    98   580.000  0.967
   89    90   580.000  0.967
   82    83   580.000  0.967
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    65   317.000  1.510
   54    66   337.000  1.449
   65    69   469.000  1.400
   65    99   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    84   469.000  1.400
   75    85   450.000  1.364
   84    91   469.000  1.400
   84    93   450.000  1.364
   91    92   367.000  1.080
   91    99   469.000  1.400
   99   104   317.000  1.510
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109    66   337.000  1.449
   66    71   490.000  1.335
   71    72   570.000  1.229
   71    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   93    94   553.000  0.945
   85    86   553.000  0.945
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    60    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  108.56700
   44    52    53    35.00000  117.00000
   44    52    62    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    67    90.00000  112.10700
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    35.00000  109.50000
   61    50    60    92.60000  111.55000
   61    67    68    60.00000  105.75400
   61    67    73    90.00000  109.70700
   61    67   100   110.00000  113.16000
   67    73    74    45.00000  109.54000
   67    73    80    70.00000  111.10000
   67    73    82    90.00000  109.42000
   67   100    95    90.00000  112.10700
   73    67    68    45.00000  111.65000
   73    80    81    37.50000  110.70000
   73    80    87    58.35000  112.70000
   73    80    89    90.00000  111.45300
   73    82    83    65.00000  108.53500
   80    73    74    37.50000  110.70000
   80    87    88    37.50000  110.70000
   80    87    95    58.35000  112.70000
   80    87    97    90.00000  111.45300
   80    89    90    65.00000  108.53500
   87    80    81    37.50000  110.70000
   87    95    96    37.50000  110.70000
   87    95   100    95.00000  107.88500
   87    95   101    58.35000  112.70000
   87    97    98    65.00000  108.53500
   95    87    88    37.50000  110.70000
   95   101   102    37.50000  110.70000
   95   101   103    37.50000  110.70000
   95   101   107    90.00000  111.45300
  100    67    68    60.00000  105.75400
  100    67    73    90.00000  109.70700
  100    95    96    55.00000  108.98800
  101    95    96    37.50000  110.70000
  101    95   100    95.00000  107.88500
  101   107   108    65.00000  108.53500
  103   101   102    33.00000  107.80000
  107   101   102    60.00000  109.39000
  107   101   103    60.00000  109.39000
   97    87    88    60.00000  109.39000
   97    87    95    90.00000  111.45300
   89    80    81    60.00000  109.39000
   89    80    87    90.00000  111.45300
   82    73    74    60.00000  109.39000
   82    73    80    90.00000  111.45300
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    62    63    35.00000  120.00000
   52    62    64    35.00000  120.00000
   62    52    53    35.00000  120.00000
   64    62    63    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    65    70.00000  112.17500
   46    54    66    70.00000  110.72300
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    65    69    70.00000  120.00000
   54    65    99    70.00000  120.00000
   54    66   109    50.00000  118.00000
   54    66    71    50.00000  121.90000
   65    54    55    35.00000  109.50000
   65    69    70    35.00000  120.00000
   65    69    75    63.00000  120.00000
   65    99    91    63.00000  120.00000
   65    99   104    70.00000  120.00000
   69    75    84    63.00000  120.00000
   69    75    85    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    84    91    63.00000  120.00000
   75    84    93    70.00000  120.00000
   75    85    86    35.00000  113.00000
   84    91    92    35.00000  120.00000
   84    91    99    63.00000  120.00000
   84    93    94    35.00000  113.00000
   91    99   104    70.00000  120.00000
   99    65    69    63.00000  120.00000
   99    91    92    35.00000  120.00000
   99   104   105    35.00000  109.50000
   99   104   106    35.00000  109.50000
   99   104   109    70.00000  112.17500
  104   109   110    37.50000  110.70000
  104   109   111    37.50000  110.70000
  104   109    66    70.00000  110.72300
  106   104   105    33.00000  107.80000
  109   104   105    37.50000  110.70000
  109   104   106    37.50000  110.70000
  109    66    71    50.00000  121.90000
  111   109   110    33.00000  107.80000
   66    54    55    35.00000  109.50000
   66    54    65    75.00000  111.96400
   66   109   110    35.00000  109.50000
   66   109   111    35.00000  109.50000
   66    71    72    80.00000  122.90000
   66    71    76    70.00000  116.60000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   76    71    72    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   93    84    91    70.00000  120.00000
   85    75    84    70.00000  120.00000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
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   72    71    76    78   0.00000  1.0 1.0
   72    71    76    79   0.00000  1.0 1.0
   93    84    91    92   3.62500 -1.0 2.0
   93    84    91    99   3.62500 -1.0 2.0
   85    75    84    91   3.62500 -1.0 2.0
   85    75    84    93   3.62500 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    53    52    62  15.00000 -1.0 2.0
   63    64    62    52  15.00000 -1.0 2.0
   69    99    65    54   4.00000 -1.0 2.0
   75    70    69    65   1.10000 -1.0 2.0
   84    85    75    69   4.00000 -1.0 2.0
   91    93    84    75   4.00000 -1.0 2.0
   99    92    91    84   1.10000 -1.0 2.0
   91   104    99    65   4.00000 -1.0 2.0
  109    71    66    54   1.00000 -1.0 2.0
   66    76    71    72  10.50000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
