* LIGAND DATABASE FILE (OPLS2005)
*
001     108   113    221    364     660
    1     0 S   NP   _N1_     1    28.85791    94.34257   -25.45126
    2     1 S   H    _HN1     2     1.02786   115.34208   -94.40360
    3     1 S   H    _H1_     3     1.02950    81.88090    12.12745
    4     1 S   H    _H2_     4     1.02830    25.27095  -172.44220
    5     1 S   CT   _CA1     5     1.50112   123.36953   121.26531
    6     5 S   HC   _HA1     6     1.09572   105.19817    83.95810
    7     5 S   CO3  _C1_     7     1.53788   112.47620   -36.28820
    8     7 S   O2Z  _O11     8     1.26373   115.00529   -42.30625
    9     7 S   O2Z  _O12     9     1.26241   114.94871   136.84929
   10     5 S   CT   _CB1    10     1.53083   107.42864  -158.04250
   11    10 S   HC   HB11    11     1.09834   109.37870   -49.65703
   12    10 S   HC   HB12    12     1.09814   110.44212    66.95141
   13    10 S   CT   _CG1    13     1.52995   112.60881  -170.63275
   14    13 S   HC   HG11    14     1.09580   110.63737   -65.60029
   15    13 S   HC   HG12    15     1.09670   109.78228    53.63336
   16    13 S   C    _CD1    16     1.51801   112.22470   174.09927
   17    16 S   O    _OE1    17     1.22731   123.28692     7.14092
   18    16 S   N    _N2_    18     1.38664   111.68033  -173.00078
   19    18 S   H    _HN2    19     1.01585   118.91655     1.86781
   20    18 S   CT1  _CA2    20     1.46193   123.36604   177.31547
   21    20 S   HC   _HA2    21     1.09737   109.38497     2.20833
   22    20 S   C    _C2_    22     1.53550   108.55014  -113.25231
   23    22 S   O    _O2_    23     1.23056   122.27742  -147.49086
   24    20 S   CT   _CB2    32     1.53351   111.62884   124.26666
   25    24 S   HC   HB21    33     1.09491   109.92975    56.08522
   26    24 S   HC   HB22    34     1.09512   110.08384   175.12573
   27    22 S   N    _N3_    24     1.38324   113.68325    39.92754
   28    27 S   H    _HN3    25     1.01588   119.59202    -3.31440
   29    24 S   S    _SG2    35     1.82775   111.53300   -65.05087
   30    27 S   CT   _CA3    26     1.45292   123.22650   177.12594
   31    30 S   HC   HA31    27     1.09549   107.50454   -64.68893
   32    30 S   HC   HA32    28     1.09556   107.99510    51.75563
   33    29 S   CT   _C21    36     1.83569    99.73975  -173.38239
   34    33 S   HC   _H3_    37     1.09734   108.11602    47.31603
   35    30 S   CO3  _C3_    29     1.52965   114.06514   173.74486
   36    35 S   O2Z  _O31    30     1.26379   116.05643    -1.04080
   37    35 S   O2Z  _O32    31     1.26427   114.41694   179.02683
   38    33 S   CT   _C9_    38     1.52298   108.37343   165.02997
   39    38 S   HC   _H38    39     1.09555   113.28807    64.19000
   40    38 S   HC   _H39    40     1.09728   110.54923   -56.76259
   41    38 S   CO4  _C7_    41     1.51322   108.82109  -174.88412
   42    41 S   O    _O30    42     1.23259   118.88866   129.25916
   43    41 S   CT   _C23    43     1.55590   118.10895   -54.32754
   44    43 S   CT   _C15    44     1.59412   107.55436   161.49375
   45    44 S   HC   _H50    45     1.10163   106.63789   -38.90328
   46    43 S   C3T  _C25    95     1.54725   109.23027    39.46116
   47    43 S   CT   _C27   105     1.54411   106.72877   -78.67031
   48    47 S   HC   _H61   106     1.09530   111.31654  -171.50400
   49    47 S   HC   _H62   107     1.09379   112.14698    68.54731
   50    47 S   HC   _H63   108     1.09557   111.84547   -49.96438
   51    44 S   CT   _C11    46     1.55885   113.33170    77.32569
   52    51 S   HC   _H42    47     1.09450   110.22448    57.99174
   53    51 S   HC   _H43    48     1.09438   110.46151   -58.64913
   54    33 S   CT   _C20    96     1.53091   112.16538   -73.67254
   55    54 S   HC   _H55    97     1.09572   110.04078    59.82605
   56    82 S   O3T  _O34   100     1.42430   114.75769   -41.42486
   57    51 S   CT   _C13    49     1.53750   114.31629   179.75531
   58    57 S   HC   _H46    50     1.09754   108.81883    66.87628
   59    57 S   HC   _H47    51     1.09335   108.08002  -177.96423
   60    54 S   OH   _O35    98     1.42708   111.29636   -58.17543
   61    60 S   HO   _H73    99     0.97312   107.20971    53.93664
   62    57 S   CT   _C24    52     1.53737   111.75148   -55.15143
   63    62 S   CT   _C16    53     1.54693   106.04862    57.28377
   64    63 S   HC   _H51    54     1.10363   107.87821    56.13662
   65    62 S   CT   _C28   101     1.54771   110.44461   -66.27528
   66    65 S   HC   _H64   102     1.09460   112.40560  -176.14045
   67    65 S   HC   _H65   103     1.09298   112.84535    63.23830
   68    65 S   HC   _H66   104     1.09496   110.86922   -56.32400
   69    63 S   CT   _C10    55     1.52205   103.86302   168.08769
   70    69 S   HC   _H40    56     1.09481   112.14965  -155.16455
   71    69 S   HC   _H41    57     1.09579   111.52551    84.08224
   72    44 S   CT   _C17    88     1.55875   114.18209  -155.01811
   73    72 S   HC   _H52    89     1.09628   109.15284   -59.26275
   74    69 S   CT   _C12    58     1.53419   104.00526   -35.02278
   75    74 S   HC   _H44    59     1.09601   109.24185   129.93710
   76    74 S   HC   _H45    60     1.09582   110.66581  -111.89505
   77    72 S   CT   _C14    90     1.53214   110.13030    59.81528
   78    77 S   HC   _H48    91     1.09700   110.22276    67.50524
   79    77 S   HC   _H49    92     1.09607   110.03129  -174.95477
   80    62 S   CT   _C18    61     1.56145   115.87945   166.54397
   81    80 S   HC   _H53    62     1.09964   107.13518   -41.24548
   82    77 S   C3T  _C19    93     1.48175   112.75135   -53.79150
   83    82 S   HC   _H54    94     1.08193   112.63325   179.73020
   84    80 S   CT   _C31    63     1.55482   119.40056    81.12741
   85    84 S   HC   _H72    64     1.09853   108.71127    58.17961
   86    84 S   CT   _C22    65     1.55783   112.48364   175.05811
   87    86 S   HC   _H57    66     1.09745   108.67439   -58.10568
   88    84 S   CT   _C29    84     1.53532   112.35002   -58.92565
   89    88 S   HC   _H67    85     1.09463   111.56764   -47.95122
   90    88 S   HC   _H68    86     1.09472   111.83781  -168.94271
   91    88 S   HC   _H69    87     1.09272   110.94576    72.88296
   92    86 S   CT   _C8_    67     1.52325   114.70267    65.38019
   93    92 S   HC   _H36    68     1.09570   112.00869    55.31807
   94    92 S   HC   _H37    69     1.09520   109.60921   -64.56981
   95    92 S   CM   _C5_    70     1.50529   109.24969   174.89029
   96    95 S   CM   _C4_    71     1.34884   120.68937   -29.26184
   97    95 S   CT   _C26    80     1.50397   114.42508   151.75177
   98    97 S   HC   _H58    81     1.09474   110.12419   -69.93542
   99    97 S   HC   _H59    82     1.09251   113.48161   168.66810
  100    97 S   HC   _H60    83     1.09562   109.96288    49.37062
  101    96 S   CO4  _C6_    72     1.49214   119.46554    -4.19405
  102   101 S   O    _O29    73     1.22684   121.64788  -165.83850
  103    96 S   CT   _C30    75     1.50265   125.16509   177.38139
  104   103 S   HC   _H70    76     1.09384   112.40818   -26.28097
  105   103 S   HC   _H71    77     1.09579   110.92506  -145.39128
  106    86 S   OS   _O33    74     1.44510   108.14299  -172.61682
  107   103 S   OH   _O36    78     1.42044   109.22053    94.64859
  108   107 S   HO   _H74    79     0.97224   107.05633   176.73625
  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
  14   8   2   1   1  11   5   4  14   4  21  24  10  16   8   2
   1   1  12   6   5   7   4   7  15   5   4   2   1  21  20   9
   9   3   2   1  11   6   5   8   4   8   4   3   4   3   2  11
   4   1   1  13   8  14   7   5   2   1   1  11   5   4  12  12
   5   2   1   1   6   2   5   3   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    54    55    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    82    46    54    55    60    61    56  
   38    39    40    41    46    54    55    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    54    55    60    47  
   40    41    42    43    54  
   41    42    43    54  
   42    43    44    45    51    72    82    46    54    56    47    48    49    50  
   43    44    46    47  
   44    45    51    52    53    57    63    72    73    77    82    83    46    54    55    60    56    47    48    49    50  
   45    51    52    53    57    58    59    62    63    64    69    72    73    77    78    79    82    46    54    56    47    48    49    50  
   51    52    53    57    63    72    73    77    46    47  
   54    55    60    61    56    47    48    49    50    51    72    77    78    79    82    83  
   48    49    50    51    54    56    72    82  
   49    50  
   50  
    0  
   52    53    57    58    59    62    63    80    72    73    77    65  
   53    57    58    59    62    72  
   57    58    59    62    72  
   55    60    61    56    77    82    83  
   60    61    56    82  
   60    72    77    78    79    82    83  
   58    59    62    63    64    69    74    80    81    84    72    65    66    67    68  
   59    62    63    80    65  
   62    63    80    65  
   61    82  
    0  
   63    64    69    70    71    74    75    76    80    81    84    85    86    88    72    73    77    65    66    67    68  
   64    69    70    71    74    75    76    80    81    84    72    73    77    78    79    82    65    66    67    68  
   69    70    71    74    80    72    73    77    65  
   66    67    68    69    72    74    80    81    84  
   67    68    80  
   68    80  
   80  
   70    71    74    75    76    80    81    84    72    73    77  
   71    74    75    76    80    72  
   74    75    76    80    72  
   73    77    78    79    82    83    74    80  
   77    78    79    82  
   75    76    80    81    84    85    86    88  
   76    80    81    84  
   80    81    84  
   78    79    82    83  
   79    82    83  
   82    83  
   81    84    85    86    87    92   106    88    89    90    91  
   84    85    86    88  
   83  
    0  
   85    86    87    92    93    94    95   101   106    88    89    90    91  
   86    87    92   106    88    89    90    91  
   87    92    93    94    95    96   101   102   106    97    88    89    90    91  
   92    93    94    95   101   106    88  
   89    90    91    92   106  
   90    91  
   91  
    0  
   93    94    95    96   101   106   103    97    98    99   100  
   94    95    96   106    97  
   95    96   106    97  
   96   101   102   106   103   104   105   107    97    98    99   100  
  101   102   106   103   104   105   107   108    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   106   103   104   105   107  
  106   103  
  104   105   107   108   106  
  105   107   108  
  107   108  
    0  
  108  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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  -0.060000   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   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   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   0.145000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   275.000  1.510
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    72   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   268.000  1.529
   62    80   268.000  1.529
   62    65   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    72   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    80   268.000  1.529
   80    81   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    92   268.000  1.529
   86   106   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   106   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   107   320.000  1.410
  107   108   553.000  0.945
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   72    73   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   275.000  1.510
   82    83   340.000  1.088
   82    46   260.000  1.509
   82    56   335.000  1.432
   46    54   275.000  1.510
   46    56   335.000  1.432
   54    55   340.000  1.090
   54    60   320.000  1.410
   60    61   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    54    46    70.00000  112.37300
   33    54    55    37.50000  110.70000
   33    54    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    44    72    58.35000  112.70000
   43    46    82    60.00000  120.94000
   43    46    54    58.35000  112.70000
   43    46    56    80.00000  116.47100
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    57    58.35000  112.70000
   44    72    63    58.35000  112.70000
   44    72    73    37.50000  110.70000
   44    72    77    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    62    63    58.35000  112.70000
   57    62    80    58.35000  112.70000
   57    62    65    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    69    58.35000  112.70000
   62    63    72    58.35000  112.70000
   62    80    74    58.35000  112.70000
   62    80    81    37.50000  110.70000
   62    80    84    58.35000  112.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    74    58.35000  112.70000
   63    72    73    37.50000  110.70000
   63    72    77    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    80    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    80    81    37.50000  110.70000
   74    80    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    62    63    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    58.35000  112.70000
   80    84    88    58.35000  112.70000
   84    80    81    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    92    58.35000  112.70000
   84    86   106    50.00000  109.50000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    70.00000  112.02700
   86   106   101    83.00000  116.90000
   92    86    87    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   106    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   107    90.00000  110.39200
  106    86    87    35.00000  109.50000
  106    86    92    50.00000  109.50000
  106   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  103   107   108    55.00000  108.50000
  105   103   104    33.00000  107.80000
  107   103   104    35.00000  109.50000
  107   103   105    35.00000  109.50000
   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
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   72    44    45    37.50000  110.70000
   72    44    51    58.35000  112.70000
   72    63    64    37.50000  110.70000
   72    63    69    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    70.00000  112.37300
   77    72    73    37.50000  110.70000
   77    82    83    40.00000  115.04500
   77    82    46    60.00000  120.94000
   77    82    56    80.00000  116.47100
   79    77    78    33.00000  107.80000
   82    77    78    45.00000  109.38400
   82    77    79    45.00000  109.38400
   82    46    54    60.00000  120.94000
   82    46    56    15.00000   60.43100
   82    56    46    15.00000   59.14900
   46    43    44    70.00000  112.37300
   46    82    83    37.50000  117.20000
   46    54    55    45.00000  109.38400
   46    54    60    50.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    60    61    55.00000  108.50000
   60    54    55    35.00000  109.50000
   56    82    83    50.00000  114.27700
   56    82    46    15.00000   60.43100
   56    46    54    80.00000  116.47100
   65    62    63    58.35000  112.70000
   65    62    80    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    43    46    70.00000  112.37300
   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
   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
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   93    92    95    97   0.34800  1.0 3.0
   94    92    95    96   0.00000  1.0 1.0
   94    92    95    97   0.34800  1.0 3.0
   95    96   101   102   1.00000 -1.0 2.0
   95    96   101   106  -0.56150  1.0 1.0
   95    96   101   106   2.19150 -1.0 2.0
   95    96   103   104   0.00000  1.0 1.0
   95    96   103   105   0.00000  1.0 1.0
   95    96   103   107   0.67800  1.0 1.0
   95    96   103   107   0.47050 -1.0 2.0
   95    96   103   107  -0.62500  1.0 3.0
   96    95    97    98   0.00000  1.0 1.0
   96    95    97    99   0.00000  1.0 1.0
   96    95    97   100   0.00000  1.0 1.0
   96   101  -106    86   2.00000 -1.0 2.0
   96   103   107   108  -0.07800  1.0 1.0
   96   103   107   108  -0.21500 -1.0 2.0
   96   103   107   108  -0.03150  1.0 3.0
  101    96   103   104   0.15000  1.0 3.0
  101    96   103   105   0.15000  1.0 3.0
  101    96   103   107   0.09700  1.0 1.0
  101    96   103   107   0.15600 -1.0 2.0
  101    96   103   107  -0.50800  1.0 3.0
  102   101   106    86   3.00000 -1.0 2.0
  106    86    92    93   0.23400  1.0 3.0
  106    86    92    94   0.23400  1.0 3.0
  106    86   -92    95   0.61850  1.0 1.0
  106    86   -92    95  -0.22750 -1.0 2.0
  106    86   -92    95   0.15300  1.0 3.0
  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   106  -0.15000  1.0 1.0
  103    96   101   106   0.89550 -1.0 2.0
  103    96   101   106  -0.06900  1.0 3.0
  104   103   107   108   0.19450  1.0 3.0
  105   103   107   108   0.19450  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    92   0.56750  1.0 1.0
   88    84    86    92  -0.07550 -1.0 2.0
   88    84    86    92   0.20000  1.0 3.0
   88    84    86   106   0.62750  1.0 1.0
   88    84    86   106  -0.30950 -1.0 2.0
   88    84    86   106   0.27300  1.0 3.0
   72    44    51    52   0.15000  1.0 3.0
   72    44    51    53   0.15000  1.0 3.0
   72    44   -51    57   0.56750  1.0 1.0
   72    44   -51    57  -0.07550 -1.0 2.0
   72    44   -51    57   0.20000  1.0 3.0
   72    63    69    70   0.15000  1.0 3.0
   72    63    69    71   0.15000  1.0 3.0
   72    63    69    74   0.56750  1.0 1.0
   72    63    69    74  -0.07550 -1.0 2.0
   72    63    69    74   0.20000  1.0 3.0
   72    77    82    83   0.15000  1.0 3.0
   72    77    82    46   0.07850  1.0 1.0
   72    77    82    46  -0.03950 -1.0 2.0
   72    77    82    46   0.67350  1.0 3.0
   72    77    82    56   0.02550  1.0 1.0
   72    77    82    56  -0.02600 -1.0 2.0
   72    77    82    56   1.20400  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   77    82   -46    43   0.56750  1.0 1.0
   77    82   -46    43  -0.07550 -1.0 2.0
   77    82   -46    43   0.20000  1.0 3.0
   77    82    46    54   0.56750  1.0 1.0
   77    82    46    54  -0.07550 -1.0 2.0
   77    82    46    54   0.20000  1.0 3.0
   77    82   -46    56   0.02550  1.0 1.0
   77    82   -46    56  -0.02600 -1.0 2.0
   77    82   -46    56   1.20400  1.0 3.0
   77    82   -56    46   0.06250  1.0 1.0
   77    82   -56    46  -0.01100 -1.0 2.0
   77    82   -56    46   0.28050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    46   0.15000  1.0 3.0
   78    77    82    56   0.23400  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    77    82    46   0.15000  1.0 3.0
   79    77    82    56   0.23400  1.0 3.0
   82    46    54    33   0.07850  1.0 1.0
   82    46    54    33  -0.03950 -1.0 2.0
   82    46    54    33   0.67350  1.0 3.0
   82    46    54    55   0.15000  1.0 3.0
   82    46    54    60   0.86500  1.0 1.0
   82    46    54    60  -0.17500 -1.0 2.0
   82    46    54    60   0.20800  1.0 3.0
   83    82    46    43   0.15000  1.0 3.0
   83    82    46    54   0.15000  1.0 3.0
   83    82   -46    56   0.23400  1.0 3.0
   83    82   -56    46   0.36800  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    51   0.47050  1.0 1.0
   46    43    44    51   0.03900 -1.0 2.0
   46    43    44    51   0.20100  1.0 3.0
   46    43   -44    72   0.47050  1.0 1.0
   46    43   -44    72   0.03900 -1.0 2.0
   46    43   -44    72   0.20100  1.0 3.0
   46    43    47    48   0.15000  1.0 3.0
   46    43    47    49   0.15000  1.0 3.0
   46    43    47    50   0.15000  1.0 3.0
   46    54    60    61  -0.11600  1.0 1.0
   46    54    60    61  -0.09450 -1.0 2.0
   46    54    60    61   0.21250  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41  -0.95700  1.0 1.0
   54    33   -38    41  -0.18200 -1.0 2.0
   54    33   -38    41   0.29450  1.0 3.0
   54    46   -56    82   0.06250  1.0 1.0
   54    46   -56    82  -0.01100 -1.0 2.0
   54    46   -56    82   0.28050  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   56    82   -46    43   0.02550  1.0 1.0
   56    82   -46    43  -0.02600 -1.0 2.0
   56    82   -46    43   1.20400  1.0 3.0
   56    82   -46    54   0.02550  1.0 1.0
   56    82   -46    54  -0.02600 -1.0 2.0
   56    82   -46    54   1.20400  1.0 3.0
   56    46    54    33   0.02550  1.0 1.0
   56    46    54    33  -0.02600 -1.0 2.0
   56    46    54    33   1.20400  1.0 3.0
   56    46    54    55   0.23400  1.0 3.0
   56    46    54    60   3.69350  1.0 1.0
   56    46    54    60  -1.82950 -1.0 2.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.56750  1.0 1.0
   65    62    63    69  -0.07550 -1.0 2.0
   65    62    63    69   0.20000  1.0 3.0
   65    62    63    72   0.56750  1.0 1.0
   65    62    63    72  -0.07550 -1.0 2.0
   65    62    63    72   0.20000  1.0 3.0
   65    62    80    74   0.56750  1.0 1.0
   65    62    80    74  -0.07550 -1.0 2.0
   65    62    80    74   0.20000  1.0 3.0
   65    62    80    81   0.15000  1.0 3.0
   65    62    80    84   0.56750  1.0 1.0
   65    62    80    84  -0.07550 -1.0 2.0
   65    62    80    84   0.20000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    44    72   0.56750  1.0 1.0
   47    43    44    72  -0.07550 -1.0 2.0
   47    43    44    72   0.20000  1.0 3.0
   47    43    46    82   0.07850  1.0 1.0
   47    43    46    82  -0.03950 -1.0 2.0
   47    43    46    82   0.67350  1.0 3.0
   47    43    46    54   0.56750  1.0 1.0
   47    43    46    54  -0.07550 -1.0 2.0
   47    43    46    54   0.20000  1.0 3.0
   47    43    46    56   0.02550  1.0 1.0
   47    43    46    56  -0.02600 -1.0 2.0
   47    43    46    56   1.20400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  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   106   101   102  10.50000 -1.0 2.0
END
