* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    220    358     670
    1     0 S   NP   _N1_     1    29.81646    91.02494   -27.85459
    2     1 S   H    _HN1     2     1.02789   126.73516  -102.00141
    3     1 S   H    _H1_     3     1.02949    97.14008    17.32063
    4     1 S   H    _H2_     4     1.02828    18.88028  -105.93899
    5     1 S   CT   _CA1     5     1.50112   100.64195   129.72185
    6     5 S   HC   _HA1     6     1.09572   105.19280    75.84838
    7     5 S   CO3  _C1_     7     1.53786   112.47911   -44.39380
    8     7 S   O2Z  _O11     8     1.26372   115.00864   -42.37764
    9     7 S   O2Z  _O12     9     1.26241   114.94790   136.76009
   10     5 S   CT   _CB1    10     1.53075   107.41802  -166.16132
   11    10 S   HC   HB11    11     1.09834   109.37285   -49.63004
   12    10 S   HC   HB12    12     1.09812   110.44801    66.98004
   13    10 S   CT   _CG1    13     1.52991   112.60707  -170.59853
   14    13 S   HC   HG11    14     1.09580   110.64676   -65.79832
   15    13 S   HC   HG12    15     1.09670   109.77140    53.43813
   16    13 S   C    _CD1    16     1.51796   112.19891   173.90532
   17    16 S   O    _OE1    17     1.22730   123.25673     7.58310
   18    16 S   N    _N2_    18     1.38638   111.68055  -172.43587
   19    18 S   H    _HN2    19     1.01562   118.93831     1.86130
   20    18 S   CT1  _CA2    20     1.46271   123.46627   177.64100
   21    20 S   HC   _HA2    21     1.09738   109.40359     5.33355
   22    20 S   C    _C2_    22     1.53602   108.27481  -110.16335
   23    22 S   O    _O2_    23     1.23047   122.42898  -144.91406
   24    20 S   CT   _CB2    32     1.53530   111.64020   127.41973
   25    24 S   HC   HB21    33     1.09471   109.38078    56.44720
   26    24 S   HC   HB22    34     1.09337   109.47030   175.35367
   27    22 S   N    _N3_    24     1.38378   113.64709    42.28935
   28    27 S   H    _HN3    25     1.01566   119.59876    -2.70574
   29    24 S   S    _SG2    35     1.83094   110.95387   -63.88875
   30    27 S   CT   _CA3    26     1.45280   123.21049   177.37311
   31    30 S   HC   HA31    27     1.09548   107.46908   -65.75364
   32    30 S   HC   HA32    28     1.09556   108.03868    50.69666
   33    29 S   CT   _C23    36     1.89958   103.17261  -171.17221
   34    30 S   CO3  _C3_    29     1.52962   114.07962   172.73088
   35    34 S   O2Z  _O31    30     1.26375   116.08015    -0.67926
   36    34 S   O2Z  _O32    31     1.26428   114.41081   179.38579
   37    33 S   CM   _C28    37     1.52862   105.26982    61.89266
   38    37 S   HC   _H41    38     1.09397   113.44095   -92.76967
   39    33 S   CT   _C24    49     1.60289   110.52769  -171.76498
   40    33 S   CT   _C22    99     1.55832   107.70530   -52.79940
   41    40 S   HC   _H34   100     1.09708   111.40367    63.40543
   42    40 S   HC   _H35   101     1.09654   111.03228   -53.76029
   43    37 S   CMA  _C27    39     1.34922   132.21502    82.33905
   44    43 S   OM   _O33    40     1.26045   127.71383  -173.60677
   45    39 S   CT   _C19    50     1.58811   108.83859   173.87094
   46    45 S   HC   _H6_    51     1.09908   106.96167    59.45887
   47    39 S   CT   _C29   106     1.56691   110.84992    54.13171
   48    47 S   HC   _H42   107     1.09181   113.31405    57.58911
   49    47 S   HC   _H43   108     1.09475   112.00372   -63.93193
   50    47 S   HC   _H44   109     1.09466   111.58950   178.22635
   51    43 S   NE   _N4_    41     1.37394   124.81187     3.78108
   52    51 S   H    _H40    42     1.01672   111.40405  -167.26738
   53    45 S   CT   _C18    52     1.55369   114.73625   176.00203
   54    53 S   HC   _H30    53     1.09361   110.60236    57.47407
   55    53 S   HC   _H31    54     1.09451   110.41009   -59.53318
   56    51 S   CT   _C26    43     1.43963   127.87315    41.19345
   57    56 S   HC   _H38    44     1.09700   107.47668   176.57120
   58    56 S   HC   _H39    45     1.09371   109.80100    62.31590
   59    53 S   CT   _C17    55     1.54019   113.59037   179.93147
   60    59 S   HC   _H28    56     1.09765   108.66210    67.48705
   61    59 S   HC   _H29    57     1.09352   108.10311  -177.45071
   62    56 S   CT   _C25    46     1.51765   113.33411   -64.36767
   63    62 S   HC   _H36    47     1.09874   106.63416  -167.42772
   64    62 S   HC   _H37    48     1.09683   108.82180   -55.34406
   65    59 S   CT   _C16    58     1.53842   112.11483   -54.40094
   66    65 S   CT   _C15    59     1.54937   106.49924    56.31479
   67    66 S   HC   _H5_    60     1.10342   108.09924    56.29586
   68    65 S   CT   _C30   102     1.54797   110.01980   -67.46418
   69    68 S   HC   _H45   103     1.09448   112.44205  -177.25092
   70    68 S   HC   _H46   104     1.09298   112.83564    61.94595
   71    68 S   HC   _H47   105     1.09511   110.83147   -57.40559
   72    66 S   CT   _C14    61     1.52148   103.88745   168.37398
   73    72 S   HC   _H26    62     1.09482   112.10062  -155.35505
   74    72 S   HC   _H27    63     1.09575   111.56275    83.92018
   75    45 S   CT   _C20    94     1.55820   112.41387   -56.35943
   76    75 S   HC   _H7_    95     1.09478   109.75490   -63.56226
   77    72 S   CT   _C13    64     1.53459   103.95832   -35.15981
   78    77 S   HC   _H24    65     1.09597   109.25316   129.99317
   79    77 S   HC   _H25    66     1.09574   110.70353  -111.85856
   80    75 S   CT   _C21    96     1.52936   111.02936    54.91178
   81    80 S   HC   _H32    97     1.09677   109.82237  -174.08805
   82    80 S   HC   _H33    98     1.09710   110.02795    69.34336
   83    65 S   CT   _C12    67     1.56111   115.94099   165.67611
   84    83 S   HC   _H4_    68     1.09949   107.02851   -41.71305
   85    83 S   CT   _C5_    69     1.55291   119.30078    80.64460
   86    85 S   HC   _H3_    70     1.09795   108.37578    58.23434
   87    85 S   CT   _C4_    71     1.53170   112.75408   -59.96100
   88    87 S   HC   _H8_    72     1.09457   111.71111   -47.76973
   89    87 S   HC   _H9_    73     1.09267   111.07312    73.35205
   90    87 S   HC   _H10    74     1.09557   111.11017  -168.49724
   91    85 S   CT   _C6_    75     1.55172   113.01392   174.78151
   92    91 S   HC   _H11    76     1.09829   108.32427  -176.12091
   93    91 S   HC   _H12    77     1.09660   109.52991   -61.61486
   94    91 S   CT   _C7_    78     1.53385   115.25252    61.77654
   95    94 S   HC   _H13    79     1.09534   110.11027    57.58106
   96    94 S   HC   _H14    80     1.09371   109.56633   -60.56146
   97    94 S   CT   _C8_    81     1.53337   110.95775   178.54344
   98    97 S   HC   _H15    82     1.09756   109.35125    61.92144
   99    97 S   HC   _H16    83     1.09770   108.66557   -54.10587
  100    97 S   CT   _C9_    84     1.54008   113.48038  -175.17680
  101   100 S   HC   _H17    85     1.09738   108.70676    56.31015
  102   100 S   CT   _C10    86     1.52941   112.49289   -63.53857
  103   102 S   HC   _H18    87     1.09522   111.25793   -55.83696
  104   102 S   HC   _H19    88     1.09546   110.75217  -175.90280
  105   102 S   HC   _H20    89     1.09409   111.38644    64.98591
  106   100 S   CT   _C11    90     1.53076   109.78964   174.01120
  107   106 S   HC   _H21    91     1.09539   111.28468    61.95844
  108   106 S   HC   _H22    92     1.09521   110.83618  -177.78751
  109   106 S   HC   _H23    93     1.09516   110.83607   -58.31923
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  14   5  25  12   5   4   7   3  24  10   9   3
   2   1   7   4  13   6   5   5   4   3  15   5   4   3   1   1
  21  19   9   9   3   2   1  11   6   5   6   3   8   4   3   2
   1   1  11   4  12   8   7   3   2   1   9   5   4   9   5   4
  12   5   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    62    39    45    80    40    41    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    51    56    62    63    64    39    45    46    53    75    80    81    82    40    41    42    47    48    49    50  
   35    36  
   36  
    0  
   38    43    44    51    52    56    62    39    45    80    40    41    42    47  
   43    44    51    39    40  
   45    46    53    54    55    59    66    75    76    80    40    41    42    47    48    49    50    43    51    56    57    58    62    63    64  
   41    42    47    43    45    62    66    75    76    80    81    82  
   42    75    80    81    82  
   75    80    81    82  
   44    51    52    56    57    58    62  
   51    52    56  
   46    53    54    55    59    60    61    65    66    67    72    75    76    80    81    82    47    48    49    50    56    62    63    64  
   53    54    55    59    66    75    76    80    47    62  
   48    49    50    53    56    62    63    64    75  
   49    50    62  
   50    62  
   62  
   52    56    57    58    62    63    64  
   56    57    58    62  
   54    55    59    60    61    65    66    83    75    76    80    68    62  
   55    59    60    61    65    75  
   59    60    61    65    75  
   57    58    62    63    64  
   58    62    63    64  
   62    63    64  
   60    61    65    66    67    72    77    83    84    85    75    68    69    70    71  
   61    65    66    83    68  
   65    66    83    68  
   63    64    75  
   64  
    0  
   66    67    72    73    74    77    78    79    83    84    85    86    87    91    75    76    80    68    69    70    71  
   67    72    73    74    77    78    79    83    84    85    75    76    80    81    82    68    69    70    71  
   72    73    74    77    83    75    76    80    68  
   69    70    71    72    75    77    83    84    85  
   70    71    83  
   71    83  
   83  
   73    74    77    78    79    83    84    85    75    76    80  
   74    77    78    79    83    75  
   77    78    79    83    75  
   76    80    81    82    77    83  
   80    81    82  
   78    79    83    84    85    86    87    91  
   79    83    84    85  
   83    84    85  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91    92    93    94  
   85    86    87    91  
   86    87    88    89    90    91    92    93    94    95    96    97  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99   100   101   102   106  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103   104   105   106   107   108   109  
   99   100   101   102   106  
  100   101   102   106  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    51   415.000  1.382
   51    52   434.000  1.010
   51    56   382.000  1.448
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    45   268.000  1.529
   39    47   268.000  1.529
   45    46   340.000  1.090
   45    53   268.000  1.529
   45    75   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   268.000  1.529
   65    83   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   85    86   340.000  1.090
   85    87   268.000  1.529
   85    91   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   268.000  1.529
  100   106   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   75    76   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    62    58.35000  112.70000
   33    39    45    58.35000  112.70000
   33    39    47    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    51    75.00000  114.40000
   43    37    38    40.00000  120.50800
   43    51    52    50.00000  121.48000
   43    51    56    50.00000  121.00000
   51    43    44   105.00000  113.92000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    62    80.00000  111.61500
   56    51    52    35.00000  112.50000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    39    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    39    45    58.35000  112.70000
   62    39    47    58.35000  112.70000
   64    62    63    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   39    45    46    37.50000  110.70000
   39    45    53    58.35000  112.70000
   39    45    75    58.35000  112.70000
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    50    37.50000  110.70000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    59    58.35000  112.70000
   45    75    66    58.35000  112.70000
   45    75    76    37.50000  110.70000
   45    75    80    58.35000  112.70000
   53    45    46    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    65    58.35000  112.70000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    65    66    58.35000  112.70000
   59    65    83    58.35000  112.70000
   59    65    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    75    58.35000  112.70000
   65    83    77    58.35000  112.70000
   65    83    84    37.50000  110.70000
   65    83    85    58.35000  112.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    77    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    80    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    83    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    65    66    58.35000  112.70000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    58.35000  112.70000
   83    85    91    58.35000  112.70000
   85    83    84    37.50000  110.70000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    90    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    58.35000  112.70000
   87    85    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    85    86    37.50000  110.70000
   91    85    87    58.35000  112.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    58.35000  112.70000
   97   100   106    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  102   100   101    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    37.50000  110.70000
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   75    45    46    37.50000  110.70000
   75    45    53    58.35000  112.70000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    40    58.35000  112.70000
   80    75    76    37.50000  110.70000
   80    40    41    37.50000  110.70000
   80    40    42    37.50000  110.70000
   82    80    81    33.00000  107.80000
   40    33    37    70.00000  112.02700
   40    33    39    58.35000  112.70000
   40    80    81    37.50000  110.70000
   40    80    82    37.50000  110.70000
   42    40    41    33.00000  107.80000
   68    65    66    58.35000  112.70000
   68    65    83    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   47    39    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   87    85    91    94  -0.07550 -1.0 2.0
   87    85    91    94   0.20000  1.0 3.0
   91    85    87    88   0.15000  1.0 3.0
   91    85    87    89   0.15000  1.0 3.0
   91    85    87    90   0.15000  1.0 3.0
   91    94    97    98   0.15000  1.0 3.0
   91    94    97    99   0.15000  1.0 3.0
   91    94    97   100   0.56750  1.0 1.0
   91    94    97   100  -0.07550 -1.0 2.0
   91    94    97   100   0.20000  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    96   0.15000  1.0 3.0
   92    91    94    97   0.15000  1.0 3.0
   93    91    94    95   0.15000  1.0 3.0
   93    91    94    96   0.15000  1.0 3.0
   93    91    94    97   0.15000  1.0 3.0
   94    97   100   101   0.15000  1.0 3.0
   94    97   100   102   0.56750  1.0 1.0
   94    97   100   102  -0.07550 -1.0 2.0
   94    97   100   102   0.20000  1.0 3.0
   94    97   100   106   0.56750  1.0 1.0
   94    97   100   106  -0.07550 -1.0 2.0
   94    97   100   106   0.20000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   97   100   102   103   0.15000  1.0 3.0
   97   100   102   104   0.15000  1.0 3.0
   97   100   102   105   0.15000  1.0 3.0
   97   100   106   107   0.15000  1.0 3.0
   97   100   106   108   0.15000  1.0 3.0
   97   100   106   109   0.15000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   98    97   100   106   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
   99    97   100   106   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
   75    45    53    54   0.15000  1.0 3.0
   75    45    53    55   0.15000  1.0 3.0
   75    45   -53    59   0.56750  1.0 1.0
   75    45   -53    59  -0.07550 -1.0 2.0
   75    45   -53    59   0.20000  1.0 3.0
   75    66    72    73   0.15000  1.0 3.0
   75    66    72    74   0.15000  1.0 3.0
   75    66    72    77   0.56750  1.0 1.0
   75    66    72    77  -0.07550 -1.0 2.0
   75    66    72    77   0.20000  1.0 3.0
   75    80   -40    33   0.56750  1.0 1.0
   75    80   -40    33  -0.07550 -1.0 2.0
   75    80   -40    33   0.20000  1.0 3.0
   75    80    40    41   0.15000  1.0 3.0
   75    80    40    42   0.15000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    40   0.15000  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.15000  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   82    80    40    33   0.15000  1.0 3.0
   82    80    40    41   0.15000  1.0 3.0
   82    80    40    42   0.15000  1.0 3.0
   40    33    37    38   0.00000  1.0 1.0
   40    33    37    43   0.09850  1.0 1.0
   40    33    37    43   0.15250 -1.0 2.0
   40    33    37    43  -0.50650  1.0 3.0
   40    33    39    62   0.56750  1.0 1.0
   40    33    39    62  -0.07550 -1.0 2.0
   40    33    39    62   0.20000  1.0 3.0
   40    33   -39    45   0.56750  1.0 1.0
   40    33   -39    45  -0.07550 -1.0 2.0
   40    33   -39    45   0.20000  1.0 3.0
   40    33    39    47   0.56750  1.0 1.0
   40    33    39    47  -0.07550 -1.0 2.0
   40    33    39    47   0.20000  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65    66    75   0.56750  1.0 1.0
   68    65    66    75  -0.07550 -1.0 2.0
   68    65    66    75   0.20000  1.0 3.0
   68    65    83    77   0.56750  1.0 1.0
   68    65    83    77  -0.07550 -1.0 2.0
   68    65    83    77   0.20000  1.0 3.0
   68    65    83    84   0.15000  1.0 3.0
   68    65    83    85   0.56750  1.0 1.0
   68    65    83    85  -0.07550 -1.0 2.0
   68    65    83    85   0.20000  1.0 3.0
   47    39    45    46   0.15000  1.0 3.0
   47    39    45    53   0.56750  1.0 1.0
   47    39    45    53  -0.07550 -1.0 2.0
   47    39    45    53   0.20000  1.0 3.0
   47    39    45    75   0.56750  1.0 1.0
   47    39    45    75  -0.07550 -1.0 2.0
   47    39    45    75   0.20000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   51    44    43    37   1.10000 -1.0 2.0
   52    43    51    56   1.00000 -1.0 2.0
END
