* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    214    353     649
    1     0 S   NP   _N1_     1    28.99593    97.79840   -19.13837
    2     1 S   H    _HN1     2     1.02769    82.23412   -87.50630
    3     1 S   H    _H1_     3     1.02960    73.94898    24.26351
    4     1 S   H    _H2_     4     1.02834    51.64176   152.17136
    5     1 S   CT   _CA1     5     1.50163   161.22003   130.29561
    6     5 S   HC   _HA1     6     1.09576   105.15175    77.28013
    7     5 S   CO3  _C1_     7     1.53759   112.55230   -42.72922
    8     7 S   O2Z  _O11     8     1.26365   114.90432   -37.48088
    9     7 S   O2Z  _O12     9     1.26242   114.92556   141.60249
   10     5 S   CT   _CB1    10     1.53097   107.40950  -164.79041
   11    10 S   HC   HB11    11     1.09825   109.18335   -50.13249
   12    10 S   HC   HB12    12     1.09817   110.43181    66.40443
   13    10 S   CT   _CG1    13     1.53008   112.77855  -171.25266
   14    13 S   HC   HG11    14     1.09568   110.42540   -67.91247
   15    13 S   HC   HG12    15     1.09665   109.91586    51.32392
   16    13 S   C    _CD1    16     1.51843   112.39299   171.67435
   17    16 S   O    _OE1    17     1.22715   123.26379     3.25299
   18    16 S   N    _N2_    18     1.38613   111.60918  -176.62501
   19    18 S   H    _HN2    19     1.01577   118.97048     0.68271
   20    18 S   CT1  _CA2    20     1.46301   123.52894   179.08957
   21    20 S   HC   _HA2    21     1.09730   109.47260    -5.02890
   22    20 S   C    _C2_    22     1.53493   108.36460  -120.64001
   23    22 S   O    _O2_    23     1.23026   122.22077  -145.65812
   24    20 S   CT   _CB2    32     1.53280   111.23632   117.14108
   25    24 S   HC   HB21    33     1.09501   109.66276    55.39554
   26    24 S   HC   HB22    34     1.09511   110.76735   173.92556
   27    22 S   N    _N3_    24     1.38509   113.47475    41.68253
   28    27 S   H    _HN3    25     1.01505   118.92253    -0.67173
   29    24 S   S    _SG2    35     1.82783   111.36744   -66.87433
   30    27 S   CT   _CA3    26     1.45461   123.56878   175.30769
   31    30 S   HC   HA31    27     1.09514   109.40789    21.20806
   32    30 S   HC   HA32    28     1.09503   107.08168   138.21921
   33    29 S   CT   _C22    36     1.86202    99.85646   154.40551
   34    33 S   HC   _H8_    37     1.09870   103.90690    33.12383
   35    30 S   CO3  _C3_    29     1.52909   112.97826  -102.39751
   36    35 S   O2Z  _O31    30     1.26413   115.33836   -46.36170
   37    35 S   O2Z  _O32    31     1.26346   115.02891   134.54564
   38    33 S   CT   _C21    38     1.54188   108.26457   -80.93139
   39    38 S   HC   _H26    39     1.09677   109.09971   159.07741
   40    38 S   HC   _H27    40     1.09648   110.32685    44.89448
   41    38 S   CT   _C20    41     1.53768   114.00648   -78.92761
   42    41 S   HC   _H7_    42     1.09394   107.52631    65.88056
   43    41 S   CT   _C19    43     1.55922   111.57815   -54.44031
   44    43 S   HC   _H6_    44     1.09938   106.76923   -61.01192
   45    43 S   CT   _C18    45     1.55276   111.33702  -174.33019
   46    45 S   HC   _H24    46     1.09373   110.73129   -71.99995
   47    45 S   HC   _H25    47     1.09582   109.77638   170.97420
   48    43 S   CT   _C24    91     1.58002   112.17944    56.33383
   49    45 S   CT   _C17    48     1.53933   113.67968    50.57507
   50    49 S   HC   _H22    49     1.09763   108.65200    67.92608
   51    49 S   HC   _H23    50     1.09349   108.03665  -177.04567
   52    48 S   CO4  _C25    92     1.56037   108.15861  -173.92220
   53    52 S   O    _O35    93     1.23322   122.71738   -91.36778
   54    48 S   CT   _C29   104     1.55897   109.91005    70.86410
   55    54 S   HC   _H31   105     1.09016   113.09096   -53.44122
   56    54 S   HC   _H32   106     1.09554   111.93876  -175.90854
   57    54 S   HC   _H33   107     1.09567   111.99573    66.22598
   58    49 S   CT   _C16    51     1.53952   112.19018   -54.01028
   59    52 S   CM   _C26    94     1.48263   120.05469    85.68302
   60    59 S   HC   _H28    95     1.08370   117.58305  -172.47288
   61    41 S   CT   _C15    52     1.53703   110.88506  -175.72323
   62    61 S   HC   _H5_    53     1.10333   106.28185    64.13475
   63    58 S   CT   _C30    87     1.54625   109.86183   -66.51538
   64    63 S   HC   _H34    88     1.09352   112.32122  -178.03039
   65    63 S   HC   _H35    89     1.09302   112.92589    61.58597
   66    63 S   HC   _H36    90     1.09481   110.92137   -57.48005
   67    59 S   CM   _C27    96     1.33387   121.07825     6.94427
   68    67 S   HC   _H29    97     1.08666   118.71418  -177.96154
   69    61 S   CT   _C14    54     1.52210   118.32283   -54.61900
   70    69 S   HC   _H20    55     1.09480   112.10974    77.30715
   71    69 S   HC   _H21    56     1.09545   111.57190   -43.40407
   72    67 S   CT   _C28    98     1.49771   123.75334     1.21402
   73    72 S   HC   _H9_    99     1.09388   105.46636  -103.11758
   74    69 S   CT   _C13    57     1.53425   104.04602  -162.55648
   75    74 S   HC   _H18    58     1.09522   109.30261   130.41360
   76    74 S   HC   _H19    59     1.09583   110.48447  -111.78977
   77    33 S   CT   _C23   100     1.57936   116.78350   152.14486
   78    77 S   OM   _O37   101     1.33132   109.02441   -48.45121
   79    72 S   OH   _O36   102     1.43310   108.28077   144.96379
   80    79 S   HO   _H30   103     0.97477   105.62897   -90.77674
   81    58 S   CT   _C12    60     1.56682   115.60651   165.40653
   82    81 S   HC   _H4_    61     1.09974   105.81894   -42.73476
   83    81 S   CT   _C10    62     1.56194   121.40992    78.66556
   84    83 S   CT   _C8_    63     1.56392   111.80559   178.81188
   85    84 S   HC   _H3_    64     1.09853   108.62337   -63.59395
   86    83 S   CT   _C11    81     1.53518   111.91154   -55.62250
   87    86 S   HC   _H15    82     1.09555   111.64949  -171.81506
   88    86 S   HC   _H16    83     1.09404   111.90026   -50.64665
   89    86 S   HC   _H17    84     1.09369   111.22876    71.62153
   90    83 S   OH   _O38    85     1.43484   108.88596    62.10309
   91    90 S   HO   _H37    86     0.97310   107.82685   175.47992
   92    84 S   CT   _C9_    65     1.52369   114.97487    60.72702
   93    92 S   HC   _H13    66     1.09574   111.83290    54.77815
   94    92 S   HC   _H14    67     1.09487   109.73166   -65.10951
   95    92 S   CM   _C5_    68     1.50624   109.53474   174.62225
   96    95 S   CM   _C6_    69     1.34799   120.65163   -28.71974
   97    95 S   CT   _C4_    77     1.50403   114.31340   151.89841
   98    97 S   HC   _H10    78     1.09472   110.13274   -70.71666
   99    97 S   HC   _H11    79     1.09220   113.53974   167.74930
  100    97 S   HC   _H12    80     1.09569   109.95019    48.55462
  101    96 S   CO4  _C7_    70     1.49112   119.37432    -5.30430
  102   101 S   O    _O33    71     1.22688   121.47075  -164.50266
  103    96 S   CT   _C31    73     1.50174   125.70294   177.46240
  104   103 S   HC   _H38    74     1.09468   110.32082   102.39686
  105   103 S   HC   _H39    75     1.09276   113.04418   -19.20162
  106   103 S   HC   _H40    76     1.09587   110.47777  -137.82275
  107    84 S   OS   _O34    72     1.44927   108.19302  -177.62554
  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
  17   8   2   1   1  15   6   5  20   8  22   9  13   6   5  16
  14   5   4  12   5   7   3   2   1  18   7   3  14   6   8   3
   2   1   7   4   8   5   4   5   4   8   4   3   3   1   1   1
  12   4  14  16   8   7   3   2   1   3   1  11   5   4  12  11
   5   2   1   1   6   2   4   2   1   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    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    72    77    78  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    61    48    52    67    72    73    77    78    79    54  
   38    39    40    41    48    72    77    78  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    58    61    62    69    48    72    77    78  
   40    41    42    43    61    77  
   41    42    43    61    77  
   42    43    44    45    46    47    49    58    61    62    69    70    71    74    81    63    48    52    77    54  
   43    44    45    58    61    62    69    48  
   44    45    46    47    49    50    51    58    61    62    69    48    52    53    59    72    77    78    54    55    56    57  
   45    46    47    49    61    48    52    77    54  
   46    47    49    50    51    58    61    81    63    48    52    77    54  
   47    49    50    51    58    48  
   49    50    51    58    48  
   52    53    59    60    67    72    73    77    78    79    54    55    56    57    49    61  
   50    51    58    61    62    69    74    81    82    83    63    64    65    66  
   51    58    61    81    63  
   58    61    81    63  
   53    59    60    67    68    72    77    78    54    55    56    57  
   59    60    67    77    54  
   55    56    57    59    72    77    78  
   56    57    77  
   57    77  
   77  
   61    62    69    70    71    74    75    76    81    82    83    84    86    90    63    64    65    66  
   60    67    68    72    73    77    79  
   67    68    72  
   62    69    70    71    74    75    76    81    82    83    63    64    65    66  
   69    70    71    74    81    63  
   64    65    66    69    74    81    82    83  
   65    66    81  
   66    81  
   81  
   68    72    73    77    78    79    80  
   72    73    77    79  
   70    71    74    75    76    81    82    83  
   71    74    75    76    81  
   74    75    76    81  
   73    77    78    79    80  
   77    78    79    80  
   75    76    81    82    83    84    86    90  
   76    81    82    83  
   81    82    83  
   78    79    80  
   79  
   80  
    0  
   82    83    84    85    92   107    86    87    88    89    90    91  
   83    84    86    90  
   84    85    92    93    94    95   101   107    86    87    88    89    90    91  
   85    92    93    94    95    96   101   102   107    97    86    87    88    89    90    91  
   92    93    94    95   101   107    86    90  
   87    88    89    90    91    92   107  
   88    89    90  
   89    90  
   90  
   91    92   107  
    0  
   93    94    95    96   101   107   103    97    98    99   100  
   94    95    96   107    97  
   95    96   107    97  
   96   101   102   107   103   104   105   106    97    98    99   100  
  101   102   107   103   104   105   106    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   107   103   104   105   106  
  107   103  
  104   105   106   107  
  105   106  
  106  
    0  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760  -0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    77   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    61   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    61   268.000  1.529
   58    81   268.000  1.529
   58    63   268.000  1.529
   61    62   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   268.000  1.529
   83    86   268.000  1.529
   83    90   320.000  1.410
   84    85   340.000  1.090
   84    92   268.000  1.529
   84   107   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.510
   95    96   549.000  1.340
   95    97   317.000  1.510
   96   101   320.000  1.462
   96   103   317.000  1.510
  101   102   570.000  1.229
  101   107   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    52   317.000  1.522
   48    77   268.000  1.529
   48    54   268.000  1.529
   52    53   570.000  1.229
   52    59   320.000  1.462
   59    60   340.000  1.080
   59    67   549.000  1.340
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    77   268.000  1.529
   72    79   320.000  1.410
   77    78   570.000  1.307
   79    80   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    77    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    77    48    58.35000  112.70000
   33    77    72    58.35000  112.70000
   33    77    78    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    61    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    61    58    58.35000  112.70000
   41    61    62    37.50000  110.70000
   41    61    69    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    48    52    63.00000  111.10000
   43    48    77    58.35000  112.70000
   43    48    54    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    58    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    58    61    58.35000  112.70000
   49    58    81    58.35000  112.70000
   49    58    63    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    69    58.35000  112.70000
   58    81    74    58.35000  112.70000
   58    81    82    37.50000  110.70000
   58    81    83    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   61    41    42    37.50000  110.70000
   61    41    43    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    74    58.35000  112.70000
   69    61    62    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    81    82    37.50000  110.70000
   74    81    83    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    58    61    58.35000  112.70000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    83    84    58.35000  112.70000
   81    83    86    58.35000  112.70000
   81    83    90    50.00000  109.50000
   83    81    82    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    92    58.35000  112.70000
   83    84   107    50.00000  109.50000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   83    90    91    55.00000  108.50000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    70.00000  112.02700
   84   107   101    83.00000  116.90000
   92    84    85    37.50000  110.70000
   92    95    96    70.00000  124.00000
   92    95    97    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    96   101    65.00000  118.96000
   95    96   103    70.00000  124.00000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   96   101   102    80.00000  123.72100
   96   101   107    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   106    35.00000  109.50000
  107    84    85    35.00000  109.50000
  107    84    92    50.00000  109.50000
  107   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    95    96    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    83    84    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    83    84    50.00000  109.50000
   90    83    86    50.00000  109.50000
   63    58    61    58.35000  112.70000
   63    58    81    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    52    53    80.00000  120.40000
   48    52    59    65.00000  118.62400
   48    77    72    58.35000  112.70000
   48    77    78    50.00000  109.50000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   52    59    60    40.00000  117.72500
   52    59    67    65.00000  118.96000
   59    52    53    80.00000  123.72100
   59    67    68    35.00000  120.00000
   59    67    72    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    77    70.00000  112.02700
   67    72    79    90.00000  110.39200
   72    67    68    35.00000  117.00000
   72    77    78    50.00000  109.50000
   72    79    80    55.00000  108.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    48    52    63.00000  111.10000
   77    72    73    37.50000  110.70000
   79    72    73    35.00000  109.50000
   79    72    77    50.00000  109.50000
   54    48    52    63.00000  111.10000
   54    48    77    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
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  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   107  -0.15000  1.0 1.0
  103    96   101   107   0.89550 -1.0 2.0
  103    96   101   107  -0.06900  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   86    83    84    85   0.15000  1.0 3.0
   86    83    84    92   0.56750  1.0 1.0
   86    83    84    92  -0.07550 -1.0 2.0
   86    83    84    92   0.20000  1.0 3.0
   86    83    84   107   0.62750  1.0 1.0
   86    83    84   107  -0.30950 -1.0 2.0
   86    83    84   107   0.27300  1.0 3.0
   86    83    90    91  -0.11600  1.0 1.0
   86    83    90    91  -0.09450 -1.0 2.0
   86    83    90    91   0.21250  1.0 3.0
   90    83    84    85   0.23400  1.0 3.0
   90    83    84    92   0.86500  1.0 1.0
   90    83    84    92  -0.17500 -1.0 2.0
   90    83    84    92   0.20800  1.0 3.0
   90    83    84   107   3.69350  1.0 1.0
   90    83    84   107  -1.82950 -1.0 2.0
   90    83    86    87   0.23400  1.0 3.0
   90    83    86    88   0.23400  1.0 3.0
   90    83    86    89   0.23400  1.0 3.0
   63    58    61    41   0.56750  1.0 1.0
   63    58    61    41  -0.07550 -1.0 2.0
   63    58    61    41   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    69   0.56750  1.0 1.0
   63    58    61    69  -0.07550 -1.0 2.0
   63    58    61    69   0.20000  1.0 3.0
   63    58    81    74   0.56750  1.0 1.0
   63    58    81    74  -0.07550 -1.0 2.0
   63    58    81    74   0.20000  1.0 3.0
   63    58    81    82   0.15000  1.0 3.0
   63    58    81    83   0.56750  1.0 1.0
   63    58    81    83  -0.07550 -1.0 2.0
   63    58    81    83   0.20000  1.0 3.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    49   0.56750  1.0 1.0
   48    43    45    49  -0.07550 -1.0 2.0
   48    43    45    49   0.20000  1.0 3.0
   48    52    59    60   0.04550  1.0 1.0
   48    52    59    60   0.83000 -1.0 2.0
   48    52    59    60  -0.04000  1.0 3.0
   48    52    59    67  -0.33500  1.0 1.0
   48    52    59    67   1.06600 -1.0 2.0
   48    52    59    67  -0.14000  1.0 3.0
   52    48    77    33  -0.95700  1.0 1.0
   52    48    77    33  -0.18200 -1.0 2.0
   52    48    77    33   0.29450  1.0 3.0
   52    48    77    72  -0.95700  1.0 1.0
   52    48    77    72  -0.18200 -1.0 2.0
   52    48    77    72   0.29450  1.0 3.0
   52    48    77    78  -0.09450  1.0 1.0
   52    48    77    78  -1.12950 -1.0 2.0
   52    48    77    78   0.54000  1.0 3.0
   52    48    54    55  -0.11250  1.0 3.0
   52    48    54    56  -0.11250  1.0 3.0
   52    48    54    57  -0.11250  1.0 3.0
   52    59    67    68   7.00000 -1.0 2.0
   52    59   -67    72   7.00000 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    67   1.00000 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    77   0.09850  1.0 1.0
   59    67    72    77   0.15250 -1.0 2.0
   59    67    72    77  -0.50650  1.0 3.0
   59    67    72    79   0.67800  1.0 1.0
   59    67    72    79   0.47050 -1.0 2.0
   59    67    72    79  -0.62500  1.0 3.0
   60    59    67    68   7.00000 -1.0 2.0
   60    59    67    72   7.00000 -1.0 2.0
   67    72    77    33   0.34400  1.0 1.0
   67    72    77    33   0.09450 -1.0 2.0
   67    72    77    33   0.11100  1.0 3.0
   67    72   -77    48   0.34400  1.0 1.0
   67    72   -77    48   0.09450 -1.0 2.0
   67    72   -77    48   0.11100  1.0 3.0
   67    72    77    78   0.61850  1.0 1.0
   67    72    77    78  -0.22750 -1.0 2.0
   67    72    77    78   0.15300  1.0 3.0
   67    72    79    80  -0.07800  1.0 1.0
   67    72    79    80  -0.21500 -1.0 2.0
   67    72    79    80  -0.03150  1.0 3.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    77   0.00000  1.0 1.0
   68    67    72    79   0.00000  1.0 1.0
   73    72    77    33   0.15000  1.0 3.0
   73    72    77    48   0.15000  1.0 3.0
   73    72    77    78   0.23400  1.0 3.0
   73    72    79    80   0.19450  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33    38    40   0.15000  1.0 3.0
   77    33   -38    41   0.56750  1.0 1.0
   77    33   -38    41  -0.07550 -1.0 2.0
   77    33   -38    41   0.20000  1.0 3.0
   77    48    52    53   0.30150 -1.0 2.0
   77    48   -52    59   0.65300  1.0 1.0
   77    48   -52    59  -0.03850 -1.0 2.0
   77    48   -52    59   0.33900  1.0 3.0
   77    48    54    55   0.15000  1.0 3.0
   77    48    54    56   0.15000  1.0 3.0
   77    48    54    57   0.15000  1.0 3.0
   77    72    79    80  -0.11600  1.0 1.0
   77    72    79    80  -0.09450 -1.0 2.0
   77    72    79    80   0.21250  1.0 3.0
   79    72    77    33   0.86500  1.0 1.0
   79    72    77    33  -0.17500 -1.0 2.0
   79    72    77    33   0.20800  1.0 3.0
   79    72    77    48   0.86500  1.0 1.0
   79    72    77    48  -0.17500 -1.0 2.0
   79    72    77    48   0.20800  1.0 3.0
   79    72    77    78   3.69350  1.0 1.0
   79    72    77    78  -1.82950 -1.0 2.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    59   0.65300  1.0 1.0
   54    48    52    59  -0.03850 -1.0 2.0
   54    48    52    59   0.33900  1.0 3.0
   54    48    77    33   0.56750  1.0 1.0
   54    48    77    33  -0.07550 -1.0 2.0
   54    48    77    33   0.20000  1.0 3.0
   54    48    77    72   0.56750  1.0 1.0
   54    48    77    72  -0.07550 -1.0 2.0
   54    48    77    72   0.20000  1.0 3.0
   54    48    77    78   0.62750  1.0 1.0
   54    48    77    78  -0.30950 -1.0 2.0
   54    48    77    78   0.27300  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
   92    97    95    96   1.10000 -1.0 2.0
  101   103    96    95   1.10000 -1.0 2.0
   96   107   101   102  10.50000 -1.0 2.0
   48    59    52    53  10.50000 -1.0 2.0
   52    60    59    67   1.10000 -1.0 2.0
   72    68    67    59   1.10000 -1.0 2.0
END
