* LIGAND DATABASE FILE (OPLS2005)
*
001     113   113    211    314     627
    1     0 S   NP   _N1_     1    29.04111    93.42732   -20.92004
    2     1 S   H    _HN1     2     1.02840    26.92020   137.71794
    3     1 S   H    _H1_     3     1.02781    87.33452   -81.95152
    4     1 S   H    _H2_     4     1.02960    98.31073    26.15993
    5     1 S   CT   _CA1     5     1.50131   136.48831   157.98260
    6     5 S   HC   _HA1     6     1.09559   105.35216    49.69962
    7     5 S   CO3  _C1_     7     1.53838   112.17939   -70.78793
    8     7 S   O2Z  _O11     8     1.26376   115.01965   -47.32922
    9     7 S   O2Z  _O12     9     1.26228   114.89581   131.85239
   10     5 S   CT   _CB1    10     1.53000   107.36671   167.74308
   11    10 S   HC   HB11    11     1.09821   109.62055   -49.73547
   12    10 S   HC   HB12    12     1.09686   110.11545    66.81969
   13    10 S   CT   _CG1    13     1.52968   112.93179  -171.10609
   14    13 S   HC   HG11    14     1.09585   110.46067   -58.60609
   15    13 S   HC   HG12    15     1.09612   110.16853    60.76054
   16    13 S   C    _CD1    16     1.51792   111.86891  -178.82164
   17    16 S   O    _OE1    17     1.22762   123.19492    -7.29151
   18    16 S   N    _N2_    18     1.38615   111.84449   172.64475
   19    18 S   H    _HN2    19     1.01593   119.20790     1.64354
   20    18 S   CT1  _CA2    20     1.46108   123.01772  -176.92394
   21    20 S   HC   _HA2    21     1.09590   109.10469   -14.86982
   22    20 S   C    _C2_    22     1.53389   108.82341  -130.22640
   23    22 S   O    _O2_    23     1.23020   122.13292  -148.03593
   24    20 S   CT   _CB2    32     1.53505   111.68277   107.27466
   25    24 S   HC   HB21    33     1.09658   109.50108    62.63169
   26    24 S   HC   HB22    34     1.09567   111.00765  -180.00000
   27    22 S   N    _N3_    24     1.38485   113.41414    39.53546
   28    27 S   H    _HN3    25     1.01527   118.90039    -0.78584
   29    24 S   S    _SG2    35     1.82844   114.46771   -56.87512
   30    27 S   CT   _CA3    26     1.45446   123.45414   174.72497
   31    30 S   HC   HA31    27     1.09522   109.23559    24.47338
   32    30 S   HC   HA32    28     1.09494   107.12962   141.50925
   33    29 S   CT   _C27    36     1.82874    99.83909   -72.41125
   34    33 S   HC   _H41    37     1.09459   107.47885   -64.45484
   35    33 S   HC   _H42    38     1.09287   109.31848    54.18560
   36    30 S   CO3  _C3_    29     1.52936   113.09710   -98.97694
   37    36 S   O2Z  _O31    30     1.26406   115.41429   -43.70778
   38    36 S   O2Z  _O32    31     1.26354   114.97189   137.19959
   39    33 S   CT   _C26    39     1.53370   110.02345   174.62283
   40    39 S   HC   _H9_    40     1.09839   109.64668   -51.58048
   41    39 S   CT   _C25    41     1.53634   111.76354  -172.89872
   42    41 S   HC   _H8_    42     1.09558   110.74319    61.56160
   43    41 S   CT   _C24    43     1.53344   110.09275  -176.95535
   44    43 S   HC   _H7_    44     1.09526   109.38735   -70.31378
   45    41 S   OH   _O35   112     1.42962   109.89443   -55.77493
   46    45 S   HO   _H43   113     0.97270   108.03495   -51.88335
   47    43 S   CT   _C23    45     1.53215   111.95210    50.47636
   48    47 S   HC   _H6_    46     1.09639   110.12073    74.18788
   49    43 S   OH   _O36   110     1.42589   110.50051   172.64438
   50    49 S   HO   _H44   111     0.97246   107.73520    51.44276
   51    47 S   CO   _C22    47     1.53475   110.84055   -48.13263
   52    51 S   HC   _H5_    48     1.09776   110.13623   -68.14549
   53    47 S   OH   _O37   108     1.43032   109.67801  -169.31984
   54    53 S   HO   _H45   109     0.97223   108.27091    58.29704
   55    39 S   OS   _O34    49     1.43533   108.47635    67.67481
   56    51 S   OS   _O33    50     1.43433   107.73439   174.52070
   57    56 S   CT   _C21    51     1.43139   112.23776   176.35777
   58    57 S   HC   _H39    52     1.09597   109.25706    69.34556
   59    57 S   HC   _H40    53     1.09552   109.01818   -49.50828
   60    57 S   CT   _C20    54     1.53233   108.46760  -169.30152
   61    60 S   HC   _H4_    55     1.09647   109.87662    53.67094
   62    60 S   CT   _C19    56     1.53880   114.88374   179.51989
   63    62 S   HC   _H3_    57     1.09718   109.28287   176.55627
   64    60 S   NP   _N4_   104     1.50020   107.51489   -60.20000
   65    64 S   H    _H46   105     1.02945   110.72299    52.27997
   66    64 S   H    _H47   106     1.02944   111.00638   -67.24663
   67    64 S   H    _H48   107     1.02812   111.83712   172.38563
   68    62 S   CM   _C18    58     1.50190   112.19980   -60.74060
   69    68 S   HC   _H38    59     1.08819   116.89666    76.42024
   70    62 S   OH   _O38   102     1.42817   109.42076    59.72525
   71    70 S   HO   _H49   103     0.97355   107.63977  -178.61097
   72    68 S   CM   _C17    60     1.34120   124.15089  -102.51823
   73    72 S   HC   _H37    61     1.08716   119.87993    -0.77859
   74    72 S   CT   _C16    62     1.50185   123.20517   178.16346
   75    74 S   HC   _H35    63     1.09631   111.07056     9.35108
   76    74 S   HC   _H36    64     1.09693   108.06680   125.10197
   77    74 S   CT   _C15    65     1.53284   112.99595  -114.58446
   78    77 S   HC   _H33    66     1.09720   108.45386  -178.92189
   79    77 S   HC   _H34    67     1.09770   109.00559   -63.65937
   80    77 S   CT   _C14    68     1.53436   115.60579    58.45425
   81    80 S   HC   _H31    69     1.09738   107.95794  -178.84920
   82    80 S   HC   _H32    70     1.09655   109.94020   -63.37957
   83    80 S   CT   _C13    71     1.53043   113.73549    60.07869
   84    83 S   HC   _H29    72     1.09656   109.64974    55.40673
   85    83 S   HC   _H30    73     1.09498   110.21404   -62.40470
   86    83 S   CT   _C12    74     1.53046   111.12090   176.71956
   87    86 S   HC   _H27    75     1.09673   109.53298   -61.14485
   88    86 S   HC   _H28    76     1.09707   109.56950    56.13876
   89    86 S   CT   _C11    77     1.52965   111.40240   177.32380
   90    89 S   HC   _H25    78     1.09670   109.77167    57.46814
   91    89 S   HC   _H26    79     1.09700   109.41646   -59.89005
   92    89 S   CT   _C10    80     1.52925   111.20969   178.87778
   93    92 S   HC   _H23    81     1.09672   109.63685   -61.06068
   94    92 S   HC   _H24    82     1.09625   109.51962    56.13309
   95    92 S   CT   _C9_    83     1.52894   111.37987   177.42200
   96    95 S   HC   _H21    84     1.09652   109.70293    60.23158
   97    95 S   HC   _H22    85     1.09659   109.40297   -57.10563
   98    95 S   CT   _C8_    86     1.52977   111.27725  -178.27524
   99    98 S   HC   _H19    87     1.09659   109.63869   -61.76273
  100    98 S   HC   _H20    88     1.09364   109.02546    55.19730
  101    98 S   CT   _C7_    89     1.52918   111.34375   176.71401
  102   101 S   HC   _H17    90     1.09620   109.81570   -57.04218
  103   101 S   HC   _H18    91     1.09689   108.90274    59.62930
  104   101 S   CT   _C6_    92     1.53085   113.34805  -179.66312
  105   104 S   HC   _H15    93     1.09670   109.73531   -55.04516
  106   104 S   HC   _H16    94     1.09719   108.10234  -171.11597
  107   104 S   CT   _C5_    95     1.53010   113.20161    68.11528
  108   107 S   HC   _H13    96     1.09616   109.89009    54.20420
  109   107 S   HC   _H14    97     1.09503   110.48754   -64.00655
  110   107 S   CT   _C4_    98     1.52099   111.37973   175.23301
  111   110 S   HC   _H10    99     1.09468   110.98221    60.08899
  112   110 S   HC   _H11   100     1.09467   111.02687   -60.46418
  113   110 S   HC   _H12   101     1.09453   110.23839   179.82529
  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   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  13   7   4   1  10   7
   3   1   9   4   3   1   2   7  12   5   4  12   8  12   6   5
   2   1   1   9   4   2   1   8   4   9   5   4   9   5   4   9
   5   4   9   5   4   9   5   4   9   5   4   9   5   4   9   5
   4   9   5   4   9   5   4   9   5   4   6   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    55  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    51    55    45  
   35    39    40    41    55  
   39    40    41    55  
   37    38  
   38  
    0  
   40    41    42    43    44    47    51    52    55    56    49    45    46  
   41    42    43    51    55    45  
   42    43    44    47    48    51    55    53    49    50    45    46  
   43    44    47    55    49    45    46  
   44    47    48    51    52    55    56    53    54    49    50    45    46  
   47    48    51    53    49    50    45  
   46    47    49    55  
    0  
   48    51    52    55    56    57    53    54    49    50  
   51    52    55    56    53    54    49  
   50    51    53  
    0  
   52    55    56    57    58    59    60    53    54  
   55    56    57    53  
   54    55    56  
    0  
   56    57  
   57    58    59    60    61    62    64  
   58    59    60    61    62    63    68    70    64    65    66    67  
   59    60    61    62    64  
   60    61    62    64  
   61    62    63    68    69    72    70    71    64    65    66    67  
   62    63    68    70    64    65    66    67  
   63    68    69    72    73    74    70    71    64    65    66    67  
   68    69    72    70    71    64  
   65    66    67    68    70  
   66    67  
   67  
    0  
   69    72    73    74    75    76    77    70    71  
   72    73    74    70  
   71    72  
    0  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89    90    91    92  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92    93    94    95  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96    97    98  
   91    92    93    94    95  
   92    93    94    95  
   93    94    95    96    97    98    99   100   101  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100   101   102   103   104  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105   106   107  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   110  
  107   108   109   110  
  108   109   110   111   112   113  
  109   110   111   112   113  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.025600   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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  -0.120000   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   3.5000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    55   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.380
   51    56   320.000  1.380
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   367.000  1.471
   62    63   340.000  1.090
   62    68   317.000  1.510
   62    70   320.000  1.410
   68    69   340.000  1.080
   68    72   549.000  1.340
   72    73   340.000  1.080
   72    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  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   112   340.000  1.090
  110   113   340.000  1.090
   70    71   553.000  0.945
   64    65   434.000  1.010
   64    66   434.000  1.010
   64    67   434.000  1.010
   53    54   553.000  0.945
   49    50   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    55    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    55    51    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    51    75.00000  109.43000
   43    47    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    51    52    45.00000  112.01100
   47    51    55    90.00000  108.56700
   47    51    56    90.00000  108.56700
   47    53    54    55.00000  108.50000
   51    47    48    45.00000  108.72000
   51    56    57    60.00000  109.50000
   55    39    40    35.00000  109.50000
   55    39    41    50.00000  109.50000
   55    51    52    35.00000  109.50000
   56    51    52    35.00000  109.50000
   56    51    55    92.60000  111.55000
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   56    57    60    50.00000  109.50000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    64    80.00000  111.20000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    68    70.00000  112.02700
   60    62    70    50.00000  109.50000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   62    60    61    37.50000  110.70000
   62    68    69    35.00000  117.00000
   62    68    72    70.00000  124.00000
   62    70    71    55.00000  108.50000
   68    62    63    35.00000  109.50000
   68    72    73    35.00000  120.00000
   68    72    74    70.00000  124.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    70.00000  112.02700
   74    72    73    35.00000  117.00000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    93    37.50000  110.70000
   89    92    94    37.50000  110.70000
   89    92    95    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   109    37.50000  110.70000
  104   107   110    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   110   111    37.50000  110.70000
  107   110   112    37.50000  110.70000
  107   110   113    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   70    62    63    35.00000  109.50000
   70    62    68    90.00000  110.39200
   64    60    61    35.00000  109.50000
   64    60    62    80.00000  111.20000
   66    64    65    35.00000  109.50000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   53    47    48    35.00000  109.50000
   53    47    51    90.00000  111.58700
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    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
    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
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   64    60    62    68   0.83300  1.0 3.0
   64    60    62    70   1.69300  1.0 1.0
   64    60    62    70  -0.48450 -1.0 2.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   3.69350  1.0 1.0
   53    47    51    55  -1.82950 -1.0 2.0
   53    47    51    56   3.69350  1.0 1.0
   53    47    51    56  -1.82950 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   0.86500  1.0 1.0
   49    43    47    51  -0.17500 -1.0 2.0
   49    43    47    51   0.20800  1.0 3.0
   49    43    47    53   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   62    69    68    72  15.00000 -1.0 2.0
   74    73    72    68  15.00000 -1.0 2.0
END
