* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    219    356     665
    1     0 S   NP   _N1_     1    29.43438   100.84521   -22.37495
    2     1 S   H    _HN1     2     1.02787    92.98033   -81.20711
    3     1 S   H    _H1_     3     1.02950    49.12562    30.64213
    4     1 S   H    _H2_     4     1.02829    68.09467   170.69517
    5     1 S   CT   _CA1     5     1.50116   152.93876    77.72888
    6     5 S   HC   _HA1     6     1.09573   105.19362   141.44532
    7     5 S   CO3  _C1_     7     1.53796   112.45756    21.20972
    8     7 S   O2Z  _O11     8     1.26374   115.00629   -42.51109
    9     7 S   O2Z  _O12     9     1.26241   114.95253   136.60773
   10     5 S   CT   _CB1    10     1.53079   107.41729  -100.56384
   11    10 S   HC   HB11    11     1.09834   109.38843   -49.59167
   12    10 S   HC   HB12    12     1.09813   110.44359    67.02464
   13    10 S   CT   _CG1    13     1.52984   112.59588  -170.56299
   14    13 S   HC   HG11    14     1.09584   110.62916   -65.45310
   15    13 S   HC   HG12    15     1.09670   109.79009    53.77549
   16    13 S   C    _CD1    16     1.51798   112.23281   174.24265
   17    16 S   O    _OE1    17     1.22731   123.29438     6.78018
   18    16 S   N    _N2_    18     1.38631   111.65186  -173.31939
   19    18 S   H    _HN2    19     1.01584   118.96831     1.64806
   20    18 S   CT1  _CA2    20     1.46212   123.45821   177.97011
   21    20 S   HC   _HA2    21     1.09735   109.35565     3.83063
   22    20 S   C    _C2_    22     1.53554   108.78157  -111.74792
   23    22 S   O    _O2_    23     1.23069   122.24983  -148.67432
   24    20 S   CT   _CB2    32     1.53277   111.40636   125.81764
   25    24 S   HC   HB21    33     1.09497   109.95114    56.54262
   26    24 S   HC   HB22    34     1.09527   110.35929   175.51598
   27    22 S   N    _N3_    24     1.38322   113.76858    38.82174
   28    27 S   H    _HN3    25     1.01576   119.58802    -3.32343
   29    24 S   S    _SG2    35     1.82708   111.45151   -64.97402
   30    27 S   CT   _CA3    26     1.45280   123.21283   177.13010
   31    30 S   HC   HA31    27     1.09549   107.51800   -64.53756
   32    30 S   HC   HA32    28     1.09557   107.97679    51.89778
   33    29 S   CT   _C8_    36     1.85603    99.49195   173.43135
   34    33 S   HC   _H4_    37     1.09726   106.61408    19.01481
   35    30 S   CO3  _C3_    29     1.52957   114.08924   173.90825
   36    35 S   O2Z  _O31    30     1.26375   116.08370    -0.06561
   37    35 S   O2Z  _O32    31     1.26430   114.40636   180.00000
   38    33 S   CT   _C7_    38     1.54759   108.63670   135.26042
   39    38 S   HC   _H15    39     1.09230   108.65333   170.28234
   40    38 S   HC   _H16    40     1.09702   110.51391    53.61330
   41    33 S   CT   _C9_    99     1.56301   111.29485   -98.53339
   42    38 S   CT   _C6_    41     1.54144   113.44529   -69.97358
   43    42 S   HC   _H13    42     1.09271   108.61872    51.81530
   44    42 S   HC   _H14    43     1.09765   109.09055   -63.73840
   45    41 S   CT   _C10   100     1.53750   111.21915   173.35394
   46    45 S   HC   _H17   101     1.09593   110.75626   -51.71506
   47    45 S   HC   _H18   102     1.09357   112.55784    70.16100
   48    45 S   HC   _H19   103     1.09667   110.82294  -169.29159
   49    41 S   CT   _C11   104     1.53469   114.07234   -62.60448
   50    49 S   HC   _H20   105     1.09458   111.82037    62.52149
   51    49 S   HC   _H21   106     1.09409   111.98190   -59.87023
   52    49 S   HC   _H22   107     1.09673   110.56332   179.90721
   53    41 S   OH   _O33   108     1.43661   108.12975    57.68701
   54    53 S   HO   _H23   109     0.97254   108.19862  -176.94104
   55    42 S   CT   _C5_    44     1.55490   114.03740   173.57944
   56    55 S   HC   _H3_    45     1.09744   107.49845   -52.99349
   57    55 S   CT   _C12    46     1.55944   110.13907  -171.21891
   58    57 S   HC   _H5_    47     1.10089   107.04029   -57.53660
   59    55 S   CT   _C4_    95     1.53191   110.34277    64.41724
   60    59 S   HC   _H10    96     1.09484   111.24083    68.61779
   61    59 S   HC   _H11    97     1.09129   111.37461  -169.99862
   62    59 S   HC   _H12    98     1.09301   112.09113   -52.39612
   63    57 S   CT   _C13    48     1.55961   111.89218    59.39995
   64    63 S   HC   _H24    49     1.09605   112.01565    29.13126
   65    63 S   HC   _H25    50     1.09602   110.16358   -90.52321
   66    63 S   CT   _C14    51     1.53306   107.41048   149.30346
   67    66 S   HC   _H26    52     1.09478   111.29642   130.53480
   68    66 S   HC   _H27    53     1.09575   110.51637  -110.06040
   69    66 S   CT   _C15    54     1.51981   103.77397     9.67650
   70    69 S   HC   _H6_    55     1.10341   106.01786    77.89779
   71    69 S   CT   _C20    56     1.53361   117.81505  -163.08804
   72    71 S   HC   _H8_    57     1.09595   109.23390    60.76720
   73    71 S   CT   _C21    58     1.53689   110.79627   -57.58561
   74    73 S   HC   _H32    59     1.09672   109.04264    74.31570
   75    73 S   HC   _H33    60     1.09714   110.61661   -42.82976
   76    71 S   CT   _C19    76     1.55313   109.58026  -179.21167
   77    76 S   HC   _H7_    77     1.10235   105.86073    65.70591
   78    73 S   CM   _C22    61     1.49522   113.69534  -164.32153
   79    78 S   HC   _H34    62     1.08757   115.69415  -166.46353
   80    76 S   CT   _C18    78     1.54939   112.29837   -48.77123
   81    80 S   HC   _H30    79     1.09383   110.65378   -74.14789
   82    80 S   HC   _H31    80     1.09590   109.66788   169.01852
   83    78 S   CM   _C23    63     1.34440   124.70412    13.32610
   84    80 S   CT   _C17    81     1.53886   113.91446    48.01748
   85    84 S   HC   _H28    82     1.09768   108.72348    68.25382
   86    84 S   HC   _H29    83     1.09281   107.93796  -176.85334
   87    83 S   CT   _C28    64     1.51172   119.97829  -178.83383
   88    87 S   HC   _H39    65     1.09785   111.60682    -7.25014
   89    87 S   HC   _H40    66     1.09740   109.60949   108.41539
   90    57 S   CT   _C16    84     1.56217   119.78822   179.74977
   91    87 S   CT   _C27    67     1.52584   111.89936  -129.34390
   92    91 S   HC   _H9_    68     1.09694   109.72622    68.54965
   93    90 S   CT   _C30    85     1.54756   110.89537   -44.97566
   94    93 S   HC   _H45    86     1.09461   112.35545   -46.90223
   95    93 S   HC   _H46    87     1.09311   112.76670  -167.58152
   96    93 S   HC   _H47    88     1.09454   111.02769    72.91513
   97    91 S   CT   _C26    69     1.52543   111.17302   -53.38528
   98    97 S   HC   _H37    70     1.09694   110.18986   -66.92291
   99    97 S   HC   _H38    71     1.09706   109.56991   177.64233
  100    91 S   OH   _O34    93     1.42434   108.63659  -173.90429
  101   100 S   HO   _H41    94     0.97246   107.51593  -179.64834
  102    97 S   CT   _C25    72     1.52814   111.23796    56.22273
  103   102 S   HC   _H35    73     1.09862   107.78139    67.05510
  104   102 S   HC   _H36    74     1.09653   108.16650  -178.38626
  105    83 S   CT   _C24    75     1.53504   122.87818     1.49135
  106   105 S   CT   _C29    89     1.54769   107.99169  -107.86620
  107   106 S   HC   _H42    90     1.09480   111.67999  -171.49437
  108   106 S   HC   _H43    91     1.09485   111.79955    67.49780
  109   106 S   HC   _H44    92     1.09516   112.35697   -52.46736
  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  10   5   4   3
  19   8   2   1   1  13   6   5  11  12   5   4   9   4   3   2
   5   3   2   1   1   1  15   8  23   9   5   2   1   1  11   6
   5  11   5   4  19   7  18   9  11   5   4  20   8   9   3  11
   6   5  15   8   3   2  12   6   5   4  10   6   3   2   1   1
   9   6   5   2   1   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    55    41    45    46    47    48    49    50    51    52    53    54  
   38    39    40    42    41    45    49    53  
   36    37  
   37  
    0  
   39    40    42    43    44    55    56    57    59    41    45    49    53  
   40    42    43    44    55    41  
   42    43    44    55    41  
   45    46    47    48    49    50    51    52    53    54    42  
   43    44    55    56    57    58    63    90    59    60    61    62  
   44    55    56    57    59  
   55    56    57    59  
   46    47    48    49    50    51    52    53    54  
   47    48    49    53  
   48    49    53  
   49    53  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   56    57    58    63    64    65    66    69    84    90    93    59    60    61    62  
   57    58    63    90    59    60    61    62  
   58    63    64    65    66    67    68    69    70    71    80    84    85    86    90    93    94    95    96    59    60    61    62  
   63    64    65    66    69    84    90    93    59  
   60    61    62    63    90  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    84    90    93  
   65    66    67    68    69    90  
   66    67    68    69    90  
   67    68    69    70    71    72    73    76    84    90    93  
   68    69    70    71    90  
   69    70    71    90  
   70    71    72    73    74    75    78   105    76    77    80    84    85    86    90    93    94    95    96  
   71    72    73    76    84    90    93  
   72    73    74    75    78    79    83   102   105    76    77    80    81    82    84    90    93   106  
   73    74    75    78   105    76    77    80    90  
   74    75    78    79    83    87   105    76    77    80    90  
   75    78    79    83    76  
   78    79    83    76  
   77    80    81    82    84    85    86    90   106   107   108   109    78    83    87    97   102   103   104   105  
   80    81    82    84   106    83   102   105  
   79    83    87    88    89    91   102   105   106  
   83    87   105  
   81    82    84    85    86    90    93   106    83   102   105  
   82    84    85    86    90   105  
   84    85    86    90   105  
   87    88    89    91    92    97   102   103   104   105   106   107   108   109   100  
   85    86    90    93    94    95    96   105  
   86    90    93  
   90    93  
   88    89    91    92    97    98    99   102   105   106   100   101  
   89    91    92    97   105   100  
   91    92    97   105   100  
   93    94    95    96  
   92    97    98    99   102   103   104   105   100   101  
   97    98    99   102   100   101  
   94    95    96  
   95    96  
   96  
    0  
   98    99   102   103   104   105   106   100   101  
   99   102   103   104   105   100  
  102   103   104   105   100  
  101   102  
    0  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106   107   108   109  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    90   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    90   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   317.000  1.510
   78    79   340.000  1.080
   78    83   549.000  1.340
   83    87   317.000  1.510
   83   105   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    91   268.000  1.529
   91    92   340.000  1.090
   91    97   268.000  1.529
   91   100   320.000  1.410
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105    76   268.000  1.529
  105   106   268.000  1.529
   76    77   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    90   268.000  1.529
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  100   101   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    53   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    55    58.35000  112.70000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    55    56    37.50000  110.70000
   42    55    57    58.35000  112.70000
   42    55    59    58.35000  112.70000
   44    42    43    33.00000  107.80000
   55    42    43    37.50000  110.70000
   55    42    44    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    63    58.35000  112.70000
   55    57    90    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    58.35000  112.70000
   57    90    69    58.35000  112.70000
   57    90    84    58.35000  112.70000
   57    90    93    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    90    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    76    58.35000  112.70000
   69    90    84    58.35000  112.70000
   69    90    93    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    70.00000  112.02700
   71    76   105    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    80    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    78    79    35.00000  117.00000
   73    78    83    70.00000  124.00000
   75    73    74    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   78    83    87    70.00000  124.00000
   78    83   105    70.00000  124.00000
   83    78    79    35.00000  120.00000
   83    87    88    35.00000  109.50000
   83    87    89    35.00000  109.50000
   83    87    91    70.00000  112.02700
   83   105   102    70.00000  112.02700
   83   105    76    70.00000  112.02700
   83   105   106    70.00000  112.02700
   87    91    92    37.50000  110.70000
   87    91    97    58.35000  112.70000
   87    91   100    50.00000  109.50000
   89    87    88    33.00000  107.80000
   91    87    88    37.50000  110.70000
   91    87    89    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    37.50000  110.70000
   91    97   102    58.35000  112.70000
   91   100   101    55.00000  108.50000
   97    91    92    37.50000  110.70000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    58.35000  112.70000
   99    97    98    33.00000  107.80000
  102    97    98    37.50000  110.70000
  102    97    99    37.50000  110.70000
  102   105    76    58.35000  112.70000
  102   105   106    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105    83    87    65.00000  117.92700
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105    76    77    37.50000  110.70000
  105    76    80    58.35000  112.70000
  105   106   107    37.50000  110.70000
  105   106   108    37.50000  110.70000
  105   106   109    37.50000  110.70000
   76    71    72    37.50000  110.70000
   76    71    73    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    84    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    90    58.35000  112.70000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    90    93    58.35000  112.70000
   86    84    85    33.00000  107.80000
   90    57    58    37.50000  110.70000
   90    57    63    58.35000  112.70000
   90    69    70    37.50000  110.70000
   90    69    71    58.35000  112.70000
   90    84    85    37.50000  110.70000
   90    84    86    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
  106   105    76    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
  100    91    92    35.00000  109.50000
  100    91    97    50.00000  109.50000
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   41    53    54    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    41    45    50.00000  109.50000
   53    41    49    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
   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
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  102   105    76    71   0.20000  1.0 3.0
  102   105    76    77   0.15000  1.0 3.0
  102   105    76    80   0.56750  1.0 1.0
  102   105    76    80  -0.07550 -1.0 2.0
  102   105    76    80   0.20000  1.0 3.0
  102   105   106   107   0.15000  1.0 3.0
  102   105   106   108   0.15000  1.0 3.0
  102   105   106   109   0.15000  1.0 3.0
  103   102   105    83   0.15000  1.0 3.0
  103   102   105    76   0.15000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  104   102   105    83   0.15000  1.0 3.0
  104   102   105    76   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  105    83    87    88   0.34800  1.0 3.0
  105    83    87    89   0.34800  1.0 3.0
  105    83   -87    91   0.46850  1.0 1.0
  105    83   -87    91   0.08550 -1.0 2.0
  105    83   -87    91   0.09800  1.0 3.0
  105    76    80    81   0.15000  1.0 3.0
  105    76    80    82   0.15000  1.0 3.0
  105    76    80    84   0.56750  1.0 1.0
  105    76    80    84  -0.07550 -1.0 2.0
  105    76    80    84   0.20000  1.0 3.0
   76    71    73    74   0.15000  1.0 3.0
   76    71    73    75   0.15000  1.0 3.0
   76    71   -73    78   0.34400  1.0 1.0
   76    71   -73    78   0.09450 -1.0 2.0
   76    71   -73    78   0.11100  1.0 3.0
   76   105   106   107   0.15000  1.0 3.0
   76   105   106   108   0.15000  1.0 3.0
   76   105   106   109   0.15000  1.0 3.0
   76    80    84    85   0.15000  1.0 3.0
   76    80    84    86   0.15000  1.0 3.0
   76    80    84    90   0.56750  1.0 1.0
   76    80    84    90  -0.07550 -1.0 2.0
   76    80    84    90   0.20000  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    84   0.15000  1.0 3.0
   80    84    90    57   0.56750  1.0 1.0
   80    84    90    57  -0.07550 -1.0 2.0
   80    84    90    57   0.20000  1.0 3.0
   80    84   -90    69   0.56750  1.0 1.0
   80    84   -90    69  -0.07550 -1.0 2.0
   80    84   -90    69   0.20000  1.0 3.0
   80    84    90    93   0.56750  1.0 1.0
   80    84    90    93  -0.07550 -1.0 2.0
   80    84    90    93   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    86   0.15000  1.0 3.0
   81    80    84    90   0.15000  1.0 3.0
   82    80    84    85   0.15000  1.0 3.0
   82    80    84    86   0.15000  1.0 3.0
   82    80    84    90   0.15000  1.0 3.0
   84    90    93    94   0.15000  1.0 3.0
   84    90    93    95   0.15000  1.0 3.0
   84    90    93    96   0.15000  1.0 3.0
   85    84    90    57   0.15000  1.0 3.0
   85    84    90    69   0.15000  1.0 3.0
   85    84    90    93   0.15000  1.0 3.0
   86    84    90    57   0.15000  1.0 3.0
   86    84    90    69   0.15000  1.0 3.0
   86    84    90    93   0.15000  1.0 3.0
   90    57    63    64   0.15000  1.0 3.0
   90    57    63    65   0.15000  1.0 3.0
   90    57   -63    66   0.56750  1.0 1.0
   90    57   -63    66  -0.07550 -1.0 2.0
   90    57   -63    66   0.20000  1.0 3.0
   90    69    71    72   0.15000  1.0 3.0
   90    69    71    73   0.56750  1.0 1.0
   90    69    71    73  -0.07550 -1.0 2.0
   90    69    71    73   0.20000  1.0 3.0
   90    69   -71    76   0.56750  1.0 1.0
   90    69   -71    76  -0.07550 -1.0 2.0
   90    69   -71    76   0.20000  1.0 3.0
  106   105    76    71   0.56750  1.0 1.0
  106   105    76    71  -0.07550 -1.0 2.0
  106   105    76    71   0.20000  1.0 3.0
  106   105    76    77   0.15000  1.0 3.0
  106   105    76    80   0.56750  1.0 1.0
  106   105    76    80  -0.07550 -1.0 2.0
  106   105    76    80   0.20000  1.0 3.0
  100    91    97    98   0.23400  1.0 3.0
  100    91    97    99   0.23400  1.0 3.0
  100    91    97   102   0.86500  1.0 1.0
  100    91    97   102  -0.17500 -1.0 2.0
  100    91    97   102   0.20800  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   0.56750  1.0 1.0
   59    55    57    63  -0.07550 -1.0 2.0
   59    55    57    63   0.20000  1.0 3.0
   59    55    57    90   0.56750  1.0 1.0
   59    55    57    90  -0.07550 -1.0 2.0
   59    55    57    90   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    52   0.15000  1.0 3.0
   45    41    53    54  -0.11600  1.0 1.0
   45    41    53    54  -0.09450 -1.0 2.0
   45    41    53    54   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    53    54  -0.11600  1.0 1.0
   49    41    53    54  -0.09450 -1.0 2.0
   49    41    53    54   0.21250  1.0 3.0
   53    41    45    46   0.23400  1.0 3.0
   53    41    45    47   0.23400  1.0 3.0
   53    41    45    48   0.23400  1.0 3.0
   53    41    49    50   0.23400  1.0 3.0
   53    41    49    51   0.23400  1.0 3.0
   53    41    49    52   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   73    79    78    83   1.10000 -1.0 2.0
   87   105    83    78   1.10000 -1.0 2.0
END
