* LIGAND DATABASE FILE (OPLS2005)
*
001     108   111    211    337     632
    1     0 S   NP   _N1_     1    29.02376    91.16149   -20.99237
    2     1 S   H    _HN1     2     1.02750    89.22706   -90.23285
    3     1 S   H    _H1_     3     1.03123   104.18436    18.53870
    4     1 S   H    _H2_     4     1.02952    21.21820   117.53340
    5     1 S   CT   _CA1     5     1.50445   128.14541   151.24281
    6     5 S   HC   _HA1     6     1.09663   104.53223    48.82435
    7     5 S   CO3  _C1_     7     1.54517   111.18230   -66.91080
    8     7 S   O2Z  _O11     8     1.26062   116.65746  -130.85481
    9     7 S   O2Z  _O12     9     1.26571   113.91747    48.54950
   10     5 S   CT   _CB1    10     1.53168   107.16409   165.09515
   11    10 S   HC   HB11    11     1.09823   110.08741   -39.31836
   12    10 S   HC   HB12    12     1.09805   110.09039    77.41274
   13    10 S   CT   _CG1    13     1.53150   112.40469  -159.93785
   14    13 S   HC   HG11    14     1.09468   110.93962   -55.41998
   15    13 S   HC   HG12    15     1.09648   109.95509    63.48921
   16    13 S   C    _CD1    16     1.51759   112.09404  -176.65590
   17    16 S   O    _OE1    17     1.22737   123.08802   -14.41335
   18    16 S   N    _N2_    18     1.38604   111.73936   166.43249
   19    18 S   H    _HN2    19     1.01575   119.07810     0.91835
   20    18 S   CT1  _CA2    20     1.46245   123.42900  -177.71398
   21    20 S   HC   _HA2    21     1.09736   109.31520   -15.03280
   22    20 S   C    _C2_    22     1.53381   108.26389  -130.75331
   23    22 S   O    _O2_    23     1.23002   122.33451  -145.45770
   24    20 S   CT   _CB2    32     1.53464   111.37127   107.00664
   25    24 S   HC   HB21    33     1.09603   109.77989    55.04452
   26    24 S   HC   HB22    34     1.09509   110.50506   174.30543
   27    22 S   N    _N3_    24     1.38543   113.29157    41.90156
   28    27 S   H    _HN3    25     1.01530   118.90227    -0.52712
   29    24 S   S    _SG2    35     1.82658   111.55222   -65.76716
   30    27 S   CT   _CA3    26     1.45446   123.40852   175.07666
   31    30 S   HC   HA31    27     1.09526   109.19677    25.26062
   32    30 S   HC   HA32    28     1.09494   107.13548   142.26041
   33    29 S   CT   _C15    36     1.83660   100.17087   173.73255
   34    33 S   HC   _H3_    37     1.09948   104.32836    -6.53399
   35    30 S   CO3  _C3_    29     1.52927   113.12821   -98.18433
   36    35 S   O2Z  _O31    30     1.26401   115.40902   -44.43660
   37    35 S   O2Z  _O32    31     1.26356   114.98005   136.49571
   38    33 S   CM   _C5_    38     1.50865   107.78117   101.81733
   39    38 S   HC   _H39    39     1.08945   118.49414   -25.44293
   40    38 S   CMA  _C6_    40     1.34430   123.35923   159.51035
   41    40 S   OM   _O29    41     1.25943   130.83585   176.69104
   42    40 S   CM   _C4_    42     1.45509   117.56363    -3.10463
   43    42 S   HC   _H38    43     1.09064   117.50130   173.75474
   44    42 S   CM   _C7_    44     1.34853   123.90054   -11.86986
   45    44 S   CT   _C11    45     1.50357   118.92582  -168.89399
   46    45 S   HC   _H40    46     1.09502   110.84593  -127.81735
   47    45 S   HC   _H41    47     1.09687   111.82411   -10.03276
   48    45 S   CT   _C12    48     1.52276   108.53008   110.03583
   49    48 S   HC   _H42    49     1.09639   107.88621   176.72571
   50    48 S   HC   _H43    50     1.09725   110.12379   -67.53733
   51    48 S   CT   _C16    51     1.53941   111.77911    55.58896
   52    51 S   HC   _H49    52     1.09405   104.93553    63.83781
   53    51 S   CT   _C17    53     1.54237   111.16139   179.34928
   54    53 S   HC   _H50    54     1.09932   107.13211    69.42226
   55    51 S   CT   _C23    67     1.60205   113.86816   -53.70041
   56    55 S   Cl   CL37    68     1.84255   108.51401   -65.39051
   57    53 S   CT   _C13    55     1.52075   118.73122   -49.40607
   58    57 S   HC   _H44    56     1.09577   111.50236   -48.44319
   59    57 S   HC   _H45    57     1.09556   111.97161    71.87257
   60    33 S   CT   _C20    69     1.60039   117.67703  -123.84877
   61    57 S   CT   _C18    58     1.54933   103.44134  -169.18025
   62    61 S   HC   _H51    59     1.09838   105.75474   -95.06448
   63    60 S   CT   _C25    70     1.56032   104.13627    86.92187
   64    63 S   HC   _H56    71     1.09471   111.71195   -50.83775
   65    63 S   HC   _H57    72     1.09214   113.69244  -172.42511
   66    63 S   HC   _H58    73     1.09794   110.91674    67.59460
   67    61 S   CT   _C21    60     1.58533   106.43730    20.35845
   68    61 S   CT   _C24   105     1.52334   109.90117   150.73658
   69    68 S   HC   _H53   106     1.09378   112.19381   -64.96432
   70    68 S   HC   _H54   107     1.09423   111.05895   172.63337
   71    68 S   HC   _H55   108     1.09609   110.22614    54.41131
   72    53 S   CT   _C22    61     1.54705   113.48420  -170.15046
   73    67 S   CO4  _C8_    80     1.55599   118.97162   134.33352
   74    73 S   O    _O30    81     1.23137   122.66625   -10.50131
   75    67 S   OS   _O36    95     1.46073   107.15491  -103.65858
   76    72 S   CT   _C14    62     1.54475   106.19842   -59.84283
   77    76 S   HC   _H46    63     1.09598   110.15019   -67.16034
   78    76 S   HC   _H47    64     1.09303   109.88556   176.72416
   79    72 S   CT   _C26    76     1.55479   113.29599    61.66986
   80    79 S   HC   _H59    77     1.09363   112.55962    68.76455
   81    79 S   HC   _H60    78     1.09082   113.59311   -51.84790
   82    79 S   HC   _H61    79     1.09461   110.85787  -171.98658
   83    73 S   CT   _C29    82     1.52434   117.52582   171.53385
   84    83 S   HC   _H68    83     1.09126   108.54613    77.36589
   85    83 S   HC   _H69    84     1.09259   110.37201   -44.69659
   86    75 S   CO4  _C9_    96     1.36612   120.29942   -68.48537
   87    86 S   O    _O33    97     1.22221   125.98090    -0.81829
   88    76 S   CT   _C19    65     1.55320   114.36572    54.57906
   89    88 S   HC   _H52    66     1.08974   104.32911  -174.02745
   90    83 S   OS   _O37    85     1.42995   109.08916  -164.39090
   91    86 S   CT   _C30    98     1.50995   108.69539   179.39997
   92    91 S   HC   _H70    99     1.09512   108.43689   -59.76099
   93    91 S   HC   _H71   100     1.09518   108.43446    58.63180
   94    88 S   OH   _O35    74     1.42281   109.24084    72.95769
   95    94 S   HO   _H74    75     0.97586   108.45697    47.52459
   96    90 S   CO4  _C10    86     1.36505   115.04212  -176.27275
   97    96 S   O    _O34    87     1.22404   125.73933    -1.90032
   98    91 S   CT   _C27   101     1.51837   112.06876   179.39380
   99    98 S   HC   _H62   102     1.09510   111.03532   -59.90854
  100    98 S   HC   _H63   103     1.09508   111.04329    60.00958
  101    98 S   HC   _H64   104     1.09430   110.39414  -179.95577
  102    96 S   CT   _C31    88     1.50977   109.06157   178.35004
  103   102 S   HC   _H72    89     1.09524   108.51478   -54.31285
  104   102 S   HC   _H73    90     1.09489   108.44393    64.13851
  105   102 S   CT   _C28    91     1.51870   111.98210  -174.80374
  106   105 S   HC   _H65    92     1.09507   111.06590   -60.45694
  107   105 S   HC   _H66    93     1.09513   111.02133    59.45515
  108   105 S   HC   _H67    94     1.09429   110.39446   179.50862
  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   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  22   9  15   6  14   6   5   8  14   8   4   2
   1   1  23   6   2   1   1  15  10   5   9  10   5   4   4   2
   1   1   6   3   2   8   4   3   2   6   6   5   4   1   1   8
   4   3   2   1   1   6   5   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    88    55    56    60    63    64    65    66  
   38    39    40    44    55    60    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    63  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    63  
   44    45    60  
   45    46    47    48    49    50    51    88    55    56    60    63    64    65    66  
   46    47    48    49    50    51    52    53    55    60    63  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    72    88    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    67    72    76    88    89    55    56    60    63    94    79  
   53    54    57    72    88    55    56    60  
   54    57    58    59    61    62    67    72    76    77    78    88    55    56    60    79    80    81    82    73    75    68  
   57    58    59    61    67    72    76    55    79  
   56    60    63    64    65    66    94    95    57    72    76    77    78    88    89  
   60    63    94    76    88    89  
   58    59    61    62    67    72    76    79    73    75    68    69    70    71  
   59    61    62    67    72    68  
   61    62    67    72    68  
   63    64    65    66    94    76    88    89  
   62    67    72    76    79    73    74    83    75    86    68    69    70    71  
   67    72    73    75    68    69    70    71  
   64    65    66    88  
   65    66  
   66  
    0  
   72    76    77    78    88    79    80    81    82    73    74    83    84    85    90    75    86    87    91    68    69    70    71  
   69    70    71    72    73    75  
   70    71  
   71  
    0  
   76    77    78    88    89    94    79    80    81    82    73    74    83    75    86  
   74    83    84    85    90    96    75    86    76    79  
   83    84    85    90    75  
   86    87    91    92    93    98    76    79    83  
   77    78    88    89    94    95    79    80    81    82  
   78    88    89    94    79  
   88    89    94    79  
   80    81    82    88  
   81    82  
   82  
    0  
   84    85    90    96    97   102  
   85    90    96  
   90    96  
   87    91    92    93    98    99   100   101  
   91    92    93    98  
   89    94    95  
   94    95  
   96    97   102   103   104   105  
   92    93    98    99   100   101  
   93    98    99   100   101  
   98    99   100   101  
   95  
    0  
   97   102   103   104   105   106   107   108  
  102   103   104   105  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108  
  107   108  
  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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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   317.000  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    72   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    68   268.000  1.529
   67    72   268.000  1.529
   67    73   317.000  1.522
   67    75   320.000  1.410
   72    76   268.000  1.529
   72    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    88   268.000  1.529
   88    89   340.000  1.090
   88    55   268.000  1.529
   88    94   320.000  1.410
   55    56   245.000  1.781
   55    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   94    95   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   73    74   570.000  1.229
   73    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    90   320.000  1.410
   90    96   214.000  1.327
   96    97   570.000  1.229
   96   102   317.000  1.522
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   75    86   214.000  1.327
   86    87   570.000  1.229
   86    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    63    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    72    58.35000  112.70000
   51    55    88    58.35000  112.70000
   51    55    56    69.00000  109.80000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    72    67    58.35000  112.70000
   53    72    76    58.35000  112.70000
   53    72    79    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    67    58.35000  112.70000
   57    61    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    67    73    63.00000  111.10000
   61    67    75    50.00000  109.50000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   67    61    62    37.50000  110.70000
   67    72    76    58.35000  112.70000
   67    72    79    58.35000  112.70000
   67    73    74    80.00000  120.40000
   67    73    83    70.00000  116.00000
   67    75    86    83.00000  116.90000
   72    53    54    37.50000  110.70000
   72    53    57    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    88    58.35000  112.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   76    88    89    37.50000  110.70000
   76    88    55    58.35000  112.70000
   76    88    94    50.00000  109.50000
   78    76    77    33.00000  107.80000
   88    76    77    37.50000  110.70000
   88    76    78    37.50000  110.70000
   88    55    56    69.00000  109.80000
   88    55    60    58.35000  112.70000
   88    94    95    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    88    89    37.50000  110.70000
   55    60    63    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    69.00000  109.80000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   94    88    89    35.00000  109.50000
   94    88    55    50.00000  109.50000
   79    72    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   73    67    72    63.00000  111.10000
   73    83    84    35.00000  109.50000
   73    83    85    35.00000  109.50000
   73    83    90    90.00000  108.74100
   83    73    74    80.00000  120.40000
   83    90    96    83.00000  116.90000
   85    83    84    33.00000  107.80000
   90    83    84    35.00000  109.50000
   90    83    85    35.00000  109.50000
   90    96    97    83.00000  123.40000
   90    96   102    81.00000  111.40000
   96   102   103    35.00000  109.50000
   96   102   104    35.00000  109.50000
   96   102   105    63.00000  111.10000
  102    96    97    80.00000  120.40000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   75    67    72    50.00000  109.50000
   75    67    73    90.00000  108.74100
   75    86    87    83.00000  123.40000
   75    86    91    81.00000  111.40000
   86    91    92    35.00000  109.50000
   86    91    93    35.00000  109.50000
   86    91    98    63.00000  111.10000
   91    86    87    80.00000  120.40000
   91    98    99    37.50000  110.70000
   91    98   100    37.50000  110.70000
   91    98   101    37.50000  110.70000
   93    91    92    33.00000  107.80000
   98    91    92    37.50000  110.70000
   98    91    93    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
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
   18    20    22    27   0.37150  1.0 1.0
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   60    33   -38    40   0.09850  1.0 1.0
   60    33   -38    40   0.15250 -1.0 2.0
   60    33   -38    40  -0.50650  1.0 3.0
   60    44    45    46   0.34800  1.0 3.0
   60    44    45    47   0.34800  1.0 3.0
   60    44   -45    48   0.46850  1.0 1.0
   60    44   -45    48   0.08550 -1.0 2.0
   60    44   -45    48   0.09800  1.0 3.0
   94    88    55    51   0.86500  1.0 1.0
   94    88    55    51  -0.17500 -1.0 2.0
   94    88    55    51   0.20800  1.0 3.0
   94    88    55    56   0.56750  1.0 1.0
   94    88    55    56  -0.07550 -1.0 2.0
   94    88    55    56   0.20000  1.0 3.0
   94    88    55    60   0.86500  1.0 1.0
   94    88    55    60  -0.17500 -1.0 2.0
   94    88    55    60   0.20800  1.0 3.0
   79    72    76    77   0.15000  1.0 3.0
   79    72    76    78   0.15000  1.0 3.0
   79    72    76    88   0.56750  1.0 1.0
   79    72    76    88  -0.07550 -1.0 2.0
   79    72    76    88   0.20000  1.0 3.0
   73    67    72    53  -0.95700  1.0 1.0
   73    67    72    53  -0.18200 -1.0 2.0
   73    67    72    53   0.29450  1.0 3.0
   73    67    72    76  -0.95700  1.0 1.0
   73    67    72    76  -0.18200 -1.0 2.0
   73    67    72    76   0.29450  1.0 3.0
   73    67    72    79  -0.95700  1.0 1.0
   73    67    72    79  -0.18200 -1.0 2.0
   73    67    72    79   0.29450  1.0 3.0
   73    67    75    86  -1.80650  1.0 1.0
   73    67    75    86   0.63900 -1.0 2.0
   73    67    75    86   0.03650  1.0 3.0
   73    83    90    96  -1.80650  1.0 1.0
   73    83    90    96   0.63900 -1.0 2.0
   73    83    90    96   0.03650  1.0 3.0
   74    73    83    84   0.00000  1.0 1.0
   74    73    83    85   0.00000  1.0 1.0
   74    73    83    90   0.30150 -1.0 2.0
   83    90    96    97   3.00000 -1.0 2.0
   83    90    96   102   1.63150  1.0 1.0
   83    90    96   102   2.92000 -1.0 2.0
   84    83    90    96   0.08050  1.0 3.0
   85    83    90    96   0.08050  1.0 3.0
   90    96   102   103   0.00000  1.0 1.0
   90    96   102   104   0.00000  1.0 1.0
   90    96   102   105   0.36750  1.0 3.0
   96   102   105   106  -0.11250  1.0 3.0
   96   102   105   107  -0.11250  1.0 3.0
   96   102   105   108  -0.11250  1.0 3.0
   97    96   102   103   0.00000  1.0 1.0
   97    96   102   104   0.00000  1.0 1.0
   97    96   102   105   0.30150 -1.0 2.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   108   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   108   0.15000  1.0 3.0
   75    67    72    53   0.62750  1.0 1.0
   75    67    72    53  -0.30950 -1.0 2.0
   75    67    72    53   0.27300  1.0 3.0
   75    67    72    76   0.62750  1.0 1.0
   75    67    72    76  -0.30950 -1.0 2.0
   75    67    72    76   0.27300  1.0 3.0
   75    67    72    79   0.62750  1.0 1.0
   75    67    72    79  -0.30950 -1.0 2.0
   75    67    72    79   0.27300  1.0 3.0
   75    67    73    74   0.30150 -1.0 2.0
   75    67    73    83   0.55300  1.0 1.0
   75    67    73    83   1.25850 -1.0 2.0
   75    67    73    83  -0.23600  1.0 3.0
   75    86    91    92   0.00000  1.0 1.0
   75    86    91    93   0.00000  1.0 1.0
   75    86    91    98   0.36750  1.0 3.0
   86    91    98    99  -0.11250  1.0 3.0
   86    91    98   100  -0.11250  1.0 3.0
   86    91    98   101  -0.11250  1.0 3.0
   87    86    91    92   0.00000  1.0 1.0
   87    86    91    93   0.00000  1.0 1.0
   87    86    91    98   0.30150 -1.0 2.0
   92    91    98    99   0.15000  1.0 3.0
   92    91    98   100   0.15000  1.0 3.0
   92    91    98   101   0.15000  1.0 3.0
   93    91    98    99   0.15000  1.0 3.0
   93    91    98   100   0.15000  1.0 3.0
   93    91    98   101   0.15000  1.0 3.0
   68    61    67    72   0.56750  1.0 1.0
   68    61    67    72  -0.07550 -1.0 2.0
   68    61    67    72   0.20000  1.0 3.0
   68    61    67    73  -0.95700  1.0 1.0
   68    61    67    73  -0.18200 -1.0 2.0
   68    61    67    73   0.29450  1.0 3.0
   68    61    67    75   0.62750  1.0 1.0
   68    61    67    75  -0.30950 -1.0 2.0
   68    61    67    75   0.27300  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   67    83    73    74  10.50000 -1.0 2.0
   90   102    96    97  10.50000 -1.0 2.0
   75    91    86    87  10.50000 -1.0 2.0
END
