* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    216    352     651
    1     0 S   NP   _N1_     1    28.55707    98.19137   -21.65086
    2     1 S   H    _HN1     2     1.02788    91.98687   -81.27979
    3     1 S   H    _H1_     3     1.02949    62.63061    28.40977
    4     1 S   H    _H2_     4     1.02828    55.14964   168.21595
    5     1 S   CT   _CA1     5     1.50115   155.54533   107.47350
    6     5 S   HC   _HA1     6     1.09574   105.18772   109.24452
    7     5 S   CO3  _C1_     7     1.53777   112.42918   -10.98369
    8     7 S   O2Z  _O11     8     1.26372   115.00873   -43.50659
    9     7 S   O2Z  _O12     9     1.26237   114.94185   135.55965
   10     5 S   CT   _CB1    10     1.53071   107.41118  -132.79861
   11    10 S   HC   HB11    11     1.09836   109.35339   -49.73003
   12    10 S   HC   HB12    12     1.09811   110.46796    66.87009
   13    10 S   CT   _CG1    13     1.53000   112.61251  -170.69002
   14    13 S   HC   HG11    14     1.09580   110.66632   -66.13528
   15    13 S   HC   HG12    15     1.09671   109.75599    53.09939
   16    13 S   C    _CD1    16     1.51809   112.13848   173.55475
   17    16 S   O    _OE1    17     1.22744   123.24441     8.67840
   18    16 S   N    _N2_    18     1.38629   111.71911  -171.34179
   19    18 S   H    _HN2    19     1.01588   119.01578     1.32810
   20    18 S   CT1  _CA2    20     1.46219   123.44457   177.37363
   21    20 S   HC   _HA2    21     1.09736   109.29662     6.16911
   22    20 S   C    _C2_    22     1.53675   109.12054  -109.42366
   23    22 S   O    _O2_    23     1.23091   122.20699  -151.01222
   24    20 S   CT   _CB2    32     1.53374   111.41083   128.15980
   25    24 S   HC   HB21    33     1.09424   109.42437    56.20177
   26    24 S   HC   HB22    34     1.09310   109.69475   175.09863
   27    22 S   N    _N3_    24     1.38301   113.89814    36.55523
   28    27 S   H    _HN3    25     1.01550   119.57841    -3.53518
   29    24 S   S    _SG2    35     1.83025   111.22370   -65.41794
   30    27 S   CT   _CA3    26     1.45274   123.25957   177.12479
   31    30 S   HC   HA31    27     1.09548   107.52741   -64.40058
   32    30 S   HC   HA32    28     1.09557   107.97886    52.04958
   33    29 S   CT   _C22    36     1.86743   101.54972   172.95926
   34    30 S   CO3  _C3_    29     1.52969   114.05053   174.03852
   35    34 S   O2Z  _O31    30     1.26382   116.07209    -0.40397
   36    34 S   O2Z  _O32    31     1.26428   114.41321   179.65508
   37    33 S   CM   _C7_    37     1.54022   109.52080    60.08816
   38    33 S   CM   _C11    49     1.52388   108.87561   -64.65604
   39    33 S   CT   _C28   106     1.54940   106.60809   179.54415
   40    39 S   HC   _H57   107     1.09728   112.42528    62.37942
   41    39 S   HC   _H58   108     1.09596   112.97126   -57.86308
   42    39 S   HC   _H59   109     1.09765   110.71779  -178.06589
   43    37 S   CM   _C4_    38     1.34512   122.17849    69.96310
   44    43 S   HC   _H36    39     1.08545   121.40140    -2.48782
   45    38 S   OH   _O35    50     1.39146   115.59646   -63.02394
   46    45 S   HO   _H75    51     0.97508   106.00714  -179.65282
   47    43 S   CM   _C5_    40     1.43627   123.24548   173.36041
   48    47 S   HC   _H37    41     1.08408   114.16002  -168.93710
   49    47 S   CM   _C10    42     1.34812   123.37085    10.60330
   50    49 S   CT   _C21    43     1.55707   118.40330     4.73599
   51    37 S   CM   _C8_    44     1.47133   118.69800  -111.53213
   52    50 S   CT   _C13    52     1.55130   110.78880  -145.67846
   53    52 S   HC   _H39    53     1.09850   110.10483  -161.86651
   54    52 S   HC   _H40    54     1.09806   109.82710    82.36546
   55    50 S   CT   _C27   102     1.55312   109.72593    94.16265
   56    55 S   HC   _H54   103     1.09178   112.73099    78.11615
   57    55 S   HC   _H55   104     1.09636   111.82481   -43.49454
   58    55 S   HC   _H56   105     1.09744   111.65239  -163.54163
   59    51 S   CM   _C6_    45     1.35184   119.61802    -8.81771
   60    59 S   HC   _H38    46     1.08863   118.87506   177.10680
   61    52 S   CT   _C16    55     1.52983   115.76752   -40.84829
   62    61 S   HC   _H45    56     1.09610   106.44102   176.99378
   63    61 S   HC   _H46    57     1.09473   110.12685   -69.53013
   64    59 S   CMA  _C9_    47     1.45885   124.97021     0.36797
   65    64 S   OM   _O33    48     1.26109   111.35268  -175.96357
   66    61 S   CT   _C26    58     1.55554   113.06088    55.49618
   67    66 S   CT   _C20    59     1.59587   109.99001   180.00000
   68    67 S   HC   _H53    60     1.09858   105.76442    51.74659
   69    49 S   CT   _C23    78     1.56802   121.50248  -177.38895
   70    66 S   CT   _C32    98     1.56407   106.28234    60.29111
   71    70 S   HC   _H69    99     1.08970   113.48362   157.11900
   72    70 S   HC   _H70   100     1.09666   111.24457    38.04357
   73    70 S   HC   _H71   101     1.09461   112.36902   -81.43510
   74    67 S   CT   _C19    61     1.55913   111.46181   -61.60566
   75    74 S   HC   _H51    62     1.09544   108.82538   -51.46730
   76    74 S   HC   _H52    63     1.09656   109.70988    62.91940
   77    69 S   CT   _C29    79     1.55469   104.54390   -98.94661
   78    77 S   HC   _H60    80     1.08514   113.14494   168.50083
   79    77 S   HC   _H61    81     1.09744   111.16528    49.19664
   80    77 S   HC   _H62    82     1.08884   113.56295   -71.93776
   81    74 S   CT   _C24    64     1.54634   116.16574  -174.38319
   82    81 S   CT   _C15    65     1.54362   112.33199    46.41265
   83    82 S   HC   _H43    66     1.09695   110.62524  -118.54644
   84    82 S   HC   _H44    67     1.09740   111.44548   125.74208
   85    81 S   CO4  _C12    87     1.54116   107.73623   166.81734
   86    85 S   O    _O34    88     1.22517   124.62933   112.50314
   87    81 S   CT   _C30    94     1.54184   109.92894   -76.04576
   88    87 S   HC   _H63    95     1.09293   112.09787    61.64846
   89    87 S   HC   _H64    96     1.09648   111.32140   -58.49540
   90    87 S   HC   _H65    97     1.09649   111.06867  -177.80518
   91    82 S   CT   _C18    68     1.52914   112.55471     3.80843
   92    91 S   HC   _H49    69     1.09790   109.20784    66.68426
   93    91 S   HC   _H50    70     1.09812   108.67238  -178.57550
   94    85 S   OS   _O36    89     1.36742   110.65250   -66.75307
   95    67 S   CT   _C25    71     1.58095   114.67291   169.29785
   96    94 S   CT   _C33    90     1.43050   115.44092   179.52563
   97    96 S   HC   _H72    91     1.09325   108.08586   179.81129
   98    96 S   HC   _H73    92     1.09418   110.29532    61.13385
   99    96 S   HC   _H74    93     1.09418   110.27479   -61.52023
  100    95 S   CT   _C17    72     1.54446   113.65435     0.44279
  101   100 S   HC   _H47    73     1.09968   109.85039  -161.45094
  102   100 S   HC   _H48    74     1.09723   109.37074    86.46203
  103    95 S   CT   _C31    83     1.55634   111.65914  -120.36465
  104   103 S   HC   _H66    84     1.09235   112.53886   -38.11232
  105   103 S   HC   _H67    85     1.09721   110.98350  -158.30032
  106   103 S   HC   _H68    86     1.09136   112.75530    84.03008
  107   100 S   CT   _C14    75     1.53564   118.18224   -36.91187
  108   107 S   HC   _H41    76     1.09778   104.34464   144.98217
  109   107 S   HC   _H42    77     1.09867   108.45189  -103.18924
  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  11   5   4   3
  16   2   1   1  18  12   7   2   1   1   8   4   4   1  10   3
  23  18  13  14   6   5   6   2   1   1   3   2  14   5   4   1
   1  22  26  10  16   7   2   1   1  17   6   5   7   3   2   1
  15  15   7   6  11   3   5   2   1   1  11   4   3   4  10   3
   2   1   1   9   5   4   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    51    64    38    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    50    51    59    64    65    38    45    46    39    40    41    42  
   35    36  
   36  
    0  
   43    44    47    48    49    50    51    59    60    64    38    45    52    55    39    40    41    42  
   45    46    39    40    41    42    43    51    59    60    64    65  
   40    41    42    43    45    51    64  
   41    42  
   42  
    0  
   44    47    48    49    50    51    59    69  
   47    48    49    51  
   46    59    64    65  
   64  
   48    49    50    51    52    66   107    69    77    55  
   49    50    69  
   50    51    59    52    53    54    61    66    67   100   107   108   109    69    77    78    79    80    70    55    56    57    58  
   51    59    60    64    52    53    54    61    62    63    66   107    69    77    55    56    57    58  
   59    60    64    65    52    53    54    61    69    55    56    57    58  
   53    54    61    62    63    66    67    69    70    55    56    57    58    59  
   54    61    62    63    66    55  
   61    62    63    66    55  
   56    57    58    59    61    69  
   57    58  
   58  
    0  
   60    64    65  
   64    65  
   62    63    66    67    68    74    95   107    69    77    70    71    72    73  
   63    66    67    69    70  
   66    67    69    70  
   65  
    0  
   67    68    74    75    76    81    91    95   100   107   108   109    69    77    78    79    80   103    70    71    72    73  
   68    74    75    76    81    82    91    92    93    95   100   101   102   107    69    77   103   104   105   106    85    87    70    71    72    73  
   74    75    76    81    91    95   100    69   103    70  
   77    78    79    80    70    71    72    73    74    95   100   101   102   107   108   109  
   71    72    73    74    77    95   107  
   72    73  
   73  
    0  
   75    76    81    82    83    84    91    95   100   103    85    86    94    87    88    89    90  
   76    81    82    95    85    87  
   81    82    95    85    87  
   78    79    80   100   107   108   109  
   79    80   107  
   80   107  
  107  
   82    83    84    91    92    93    95    85    86    94    96    87    88    89    90  
   83    84    91    92    93    95   100   103    85    86    94    87    88    89    90  
   84    91    92    93    95    85    87  
   91    92    93    95    85    87  
   86    94    96    97    98    99    87    88    89    90    91  
   94    96    87  
   88    89    90    91    94  
   89    90  
   90  
    0  
   92    93    95   100   101   102   107   103   104   105   106  
   93    95   100   103  
   95   100   103  
   96    97    98    99  
  100   101   102   107   108   109   103   104   105   106  
   97    98    99  
   98    99  
   99  
    0  
  101   102   107   108   109   103   104   105   106  
  102   107   108   109   103  
  107   108   109   103  
  104   105   106   107  
  105   106  
  106  
    0  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.510
   33    39   268.000  1.529
   37    43   549.000  1.340
   37    51   380.000  1.444
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    69   317.000  1.510
   50    51   317.000  1.510
   50    52   268.000  1.529
   50    55   268.000  1.529
   51    59   549.000  1.340
   59    60   340.000  1.080
   59    64   465.000  1.376
   64    65   745.000  1.250
   64    38   465.000  1.376
   38    45   510.000  1.338
   45    46   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   268.000  1.529
   66    69   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    74   268.000  1.529
   67    95   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   268.000  1.529
   81    85   317.000  1.522
   81    87   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    95   268.000  1.529
   95   100   268.000  1.529
   95   103   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107    69   268.000  1.529
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   85    86   570.000  1.229
   85    94   214.000  1.327
   94    96   320.000  1.410
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    43    70.00000  124.00000
   33    37    51    70.00000  124.00000
   33    38    64    70.00000  124.00000
   33    38    45    90.00000  109.34000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    35.00000  120.00000
   37    43    47    70.00000  123.01800
   37    51    50    70.00000  124.00000
   37    51    59    70.00000  123.01800
   43    47    48    35.00000  120.00000
   43    47    49    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    49    50    70.00000  124.00000
   47    49    69    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    50    51    70.00000  110.12100
   49    50    52    70.00000  112.02700
   49    50    55    70.00000  112.02700
   49    69    66    70.00000  112.02700
   49    69   107    70.00000  112.02700
   49    69    77    70.00000  112.02700
   50    51    59    70.00000  124.00000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    61    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   51    37    43    70.00000  123.01800
   51    59    60    35.00000  120.00000
   51    59    64    70.00000  117.34000
   59    64    65    65.00000  137.10300
   59    64    38    70.00000  123.01800
   64    59    60    40.00000  120.50800
   64    38    45    80.00000  121.38400
   38    33    37    70.00000  110.12100
   38    64    65    65.00000  137.10300
   38    45    46    70.00000  107.45700
   52    50    51    70.00000  112.02700
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    66    67    58.35000  112.70000
   61    66    69    58.35000  112.70000
   61    66    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    74    58.35000  112.70000
   66    67    95    58.35000  112.70000
   66    69   107    58.35000  112.70000
   66    69    77    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    81    58.35000  112.70000
   67    95    91    58.35000  112.70000
   67    95   100    58.35000  112.70000
   67    95   103    58.35000  112.70000
   74    67    68    37.50000  110.70000
   74    81    82    58.35000  112.70000
   74    81    85    63.00000  111.10000
   74    81    87    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    82    83    37.50000  110.70000
   81    82    84    37.50000  110.70000
   81    82    91    58.35000  112.70000
   81    85    86    80.00000  120.40000
   81    85    94    81.00000  111.40000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   82    91    92    37.50000  110.70000
   82    91    93    37.50000  110.70000
   82    91    95    58.35000  112.70000
   84    82    83    33.00000  107.80000
   91    82    83    37.50000  110.70000
   91    82    84    37.50000  110.70000
   91    95   100    58.35000  112.70000
   91    95   103    58.35000  112.70000
   93    91    92    33.00000  107.80000
   95    67    68    37.50000  110.70000
   95    67    74    58.35000  112.70000
   95    91    92    37.50000  110.70000
   95    91    93    37.50000  110.70000
   95   100   101    37.50000  110.70000
   95   100   102    37.50000  110.70000
   95   100   107    58.35000  112.70000
   95   103   104    37.50000  110.70000
   95   103   105    37.50000  110.70000
   95   103   106    37.50000  110.70000
  100   107   108    37.50000  110.70000
  100   107   109    37.50000  110.70000
  100   107    69    58.35000  112.70000
  102   100   101    33.00000  107.80000
  107   100   101    37.50000  110.70000
  107   100   102    37.50000  110.70000
  107    69    77    58.35000  112.70000
  109   107   108    33.00000  107.80000
   69    49    50    65.00000  117.92700
   69    66    67    58.35000  112.70000
   69   107   108    37.50000  110.70000
   69   107   109    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
  103    95   100    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   85    81    82    63.00000  111.10000
   85    94    96    83.00000  116.90000
   94    85    86    83.00000  123.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   87    81    82    58.35000  112.70000
   87    81    85    63.00000  111.10000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   70    66    67    58.35000  112.70000
   70    66    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   55    50    51    70.00000  112.02700
   55    50    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
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
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   95   100   107   109   0.15000  1.0 3.0
   95   100   107    69   0.56750  1.0 1.0
   95   100   107    69  -0.07550 -1.0 2.0
   95   100   107    69   0.20000  1.0 3.0
  100    95   103   104   0.15000  1.0 3.0
  100    95   103   105   0.15000  1.0 3.0
  100    95   103   106   0.15000  1.0 3.0
  100   107    69    49   0.34400  1.0 1.0
  100   107    69    49   0.09450 -1.0 2.0
  100   107    69    49   0.11100  1.0 3.0
  100   107   -69    66   0.56750  1.0 1.0
  100   107   -69    66  -0.07550 -1.0 2.0
  100   107   -69    66   0.20000  1.0 3.0
  100   107    69    77   0.56750  1.0 1.0
  100   107    69    77  -0.07550 -1.0 2.0
  100   107    69    77   0.20000  1.0 3.0
  101   100   107   108   0.15000  1.0 3.0
  101   100   107   109   0.15000  1.0 3.0
  101   100   107    69   0.15000  1.0 3.0
  102   100   107   108   0.15000  1.0 3.0
  102   100   107   109   0.15000  1.0 3.0
  102   100   107    69   0.15000  1.0 3.0
  107    69    77    78   0.15000  1.0 3.0
  107    69    77    79   0.15000  1.0 3.0
  107    69    77    80   0.15000  1.0 3.0
  108   107    69    49   0.15000  1.0 3.0
  108   107    69    66   0.15000  1.0 3.0
  108   107    69    77   0.15000  1.0 3.0
  109   107    69    49   0.15000  1.0 3.0
  109   107    69    66   0.15000  1.0 3.0
  109   107    69    77   0.15000  1.0 3.0
   69    49    50    51   0.09700  1.0 1.0
   69    49    50    51   0.15600 -1.0 2.0
   69    49    50    51  -0.50800  1.0 3.0
   69    49   -50    52   0.46850  1.0 1.0
   69    49   -50    52   0.08550 -1.0 2.0
   69    49   -50    52   0.09800  1.0 3.0
   69    49    50    55   0.46850  1.0 1.0
   69    49    50    55   0.08550 -1.0 2.0
   69    49    50    55   0.09800  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    74   0.56750  1.0 1.0
   69    66    67    74  -0.07550 -1.0 2.0
   69    66    67    74   0.20000  1.0 3.0
   69    66   -67    95   0.56750  1.0 1.0
   69    66   -67    95  -0.07550 -1.0 2.0
   69    66   -67    95   0.20000  1.0 3.0
   69    66    70    71   0.15000  1.0 3.0
   69    66    70    72   0.15000  1.0 3.0
   69    66    70    73   0.15000  1.0 3.0
  103    95   100   101   0.15000  1.0 3.0
  103    95   100   102   0.15000  1.0 3.0
  103    95   100   107   0.56750  1.0 1.0
  103    95   100   107  -0.07550 -1.0 2.0
  103    95   100   107   0.20000  1.0 3.0
   85    81    82    83  -0.11250  1.0 3.0
   85    81    82    84  -0.11250  1.0 3.0
   85    81    82    91  -0.95700  1.0 1.0
   85    81    82    91  -0.18200 -1.0 2.0
   85    81    82    91   0.29450  1.0 3.0
   85    81    87    88  -0.11250  1.0 3.0
   85    81    87    89  -0.11250  1.0 3.0
   85    81    87    90  -0.11250  1.0 3.0
   85    94    96    97   0.08050  1.0 3.0
   85    94    96    98   0.08050  1.0 3.0
   85    94    96    99   0.08050  1.0 3.0
   86    85    94    96   3.00000 -1.0 2.0
   87    81    82    83   0.15000  1.0 3.0
   87    81    82    84   0.15000  1.0 3.0
   87    81    82    91   0.56750  1.0 1.0
   87    81    82    91  -0.07550 -1.0 2.0
   87    81    82    91   0.20000  1.0 3.0
   87    81    85    86   0.30150 -1.0 2.0
   87    81    85    94   0.36750  1.0 3.0
   70    66    67    68   0.15000  1.0 3.0
   70    66    67    74   0.56750  1.0 1.0
   70    66    67    74  -0.07550 -1.0 2.0
   70    66    67    74   0.20000  1.0 3.0
   70    66    67    95   0.56750  1.0 1.0
   70    66    67    95  -0.07550 -1.0 2.0
   70    66    67    95   0.20000  1.0 3.0
   70    66    69    49   0.34400  1.0 1.0
   70    66    69    49   0.09450 -1.0 2.0
   70    66    69    49   0.11100  1.0 3.0
   70    66    69   107   0.56750  1.0 1.0
   70    66    69   107  -0.07550 -1.0 2.0
   70    66    69   107   0.20000  1.0 3.0
   70    66    69    77   0.56750  1.0 1.0
   70    66    69    77  -0.07550 -1.0 2.0
   70    66    69    77   0.20000  1.0 3.0
   55    50    51    37   0.98200  1.0 1.0
   55    50    51    37  -0.11900 -1.0 2.0
   55    50    51    37   0.24250  1.0 3.0
   55    50    51    59   0.09850  1.0 1.0
   55    50    51    59   0.15250 -1.0 2.0
   55    50    51    59  -0.50650  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    61   0.56750  1.0 1.0
   55    50    52    61  -0.07550 -1.0 2.0
   55    50    52    61   0.20000  1.0 3.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    37    51   0.98200  1.0 1.0
   39    33    37    51  -0.11900 -1.0 2.0
   39    33    37    51   0.24250  1.0 3.0
   39    33    38    64   0.09850  1.0 1.0
   39    33    38    64   0.15250 -1.0 2.0
   39    33    38    64  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    51    37    43   1.10000 -1.0 2.0
   47    44    43    37   1.10000 -1.0 2.0
   43    48    47    49   1.10000 -1.0 2.0
   50    69    49    47   1.10000 -1.0 2.0
   37    50    51    59   1.10000 -1.0 2.0
   64    60    59    51   1.10000 -1.0 2.0
   59    65    64    38   1.10000 -1.0 2.0
   33    45    38    64   1.10000 -1.0 2.0
   81    94    85    86  10.50000 -1.0 2.0
END
