* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    205    323     601
    1     0 S   NP   _N1_     1    28.83060    96.66901   -20.17425
    2     1 S   H    _HN1     2     1.02808   103.24158  -130.32036
    3     1 S   H    _H1_     3     1.02832    71.51858   -25.11298
    4     1 S   H    _H2_     4     1.02962    39.94325   127.60136
    5     1 S   CT   _CA1     5     1.50675   140.68704    76.28882
    6     5 S   HC   _HA1     6     1.09548   104.33764    96.38060
    7     5 S   CO3  _C1_     7     1.54362   110.89932   -19.30240
    8     7 S   O2Z  _O11     8     1.25980   116.83246  -127.16384
    9     7 S   O2Z  _O12     9     1.26618   113.81804    52.06077
   10     5 S   CT   _CB1    10     1.53039   106.84390  -147.45491
   11    10 S   HC   HB11    11     1.09873   109.88617   -38.80741
   12    10 S   HC   HB12    12     1.09781   110.00863    77.57264
   13    10 S   CT   _CG1    13     1.53232   113.01511  -159.33725
   14    13 S   HC   HG11    14     1.09466   111.39562   -62.45888
   15    13 S   HC   HG12    15     1.09642   109.63384    56.93572
   16    13 S   C    _CD1    16     1.51890   111.10658   177.35914
   17    16 S   O    _OE1    17     1.22851   122.82441    18.47675
   18    16 S   N    _N2_    18     1.38651   112.50293  -161.87211
   19    18 S   H    _HN2    19     1.01595   119.38720     1.42944
   20    18 S   CT1  _CA2    20     1.46299   122.83160   178.02880
   21    20 S   HC   _HA2    21     1.09739   109.01888     6.97184
   22    20 S   C    _C2_    22     1.53624   109.48811  -108.59952
   23    22 S   O    _O2_    23     1.23103   122.04110  -153.49476
   24    20 S   CT   _CB2    32     1.53378   112.10843   128.41662
   25    24 S   HC   HB21    33     1.09391   110.19556    65.91573
   26    24 S   HC   HB22    34     1.09571   110.03706  -176.91891
   27    22 S   N    _N3_    24     1.38267   114.03948    33.91217
   28    27 S   H    _HN3    25     1.01547   119.54576    -3.67456
   29    24 S   S    _SG2    35     1.83035   111.60018   -58.18912
   30    27 S   CT   _CA3    26     1.45260   123.28593   177.20768
   31    30 S   HC   HA31    27     1.09549   107.56588   -63.40209
   32    30 S   HC   HA32    28     1.09557   107.92805    53.03541
   33    29 S   CT   _C19    36     1.83212   100.59058   129.93896
   34    33 S   HC   _H3_    37     1.09640   105.27782    60.47564
   35    30 S   CO3  _C3_    29     1.52967   114.06835   174.99543
   36    35 S   O2Z  _O31    30     1.26384   116.10596    -0.12033
   37    35 S   O2Z  _O32    31     1.26430   114.41065   179.91607
   38    33 S   CM   _C5_    38     1.51236   109.18919   174.48274
   39    38 S   HC   _H39    39     1.09085   113.41557  -101.84426
   40    33 S   CM   _C7_    94     1.51164   111.96157   -59.15845
   41    40 S   HC   _H41    95     1.08950   116.20789   -48.96278
   42    38 S   CM   _C4_    40     1.34253   130.97215    81.57730
   43    42 S   HC   _H38    41     1.08582   119.69899   175.21431
   44    42 S   CO4  _C10    42     1.47481   124.48257    -5.18100
   45    44 S   O    _O29    43     1.21935   124.83691   -53.53392
   46    44 S   OS   _O34    44     1.35633   107.44962   127.10550
   47    46 S   CT   _C23    45     1.44765   117.70813   179.00377
   48    47 S   HC   _H60    46     1.09157   110.03154    17.56337
   49    47 S   CT   _C15    47     1.55013   107.11975  -103.24534
   50    49 S   HC   _H48    48     1.09646   110.38092     3.54072
   51    49 S   HC   _H49    49     1.09447   111.66935   123.61832
   52    49 S   CT   _C24    50     1.53567   104.74665  -114.87620
   53    52 S   HC   _H61    51     1.09416   111.81523   147.75957
   54    52 S   C3T  _C27    52     1.48791   103.23281    24.96286
   55    52 S   OS   _O37    70     1.43056   111.81020   -90.70182
   56    54 S   C3T  _C18    53     1.50898   124.95044   150.97661
   57    56 S   HC   _H54    54     1.08249   118.26515     7.38902
   58    56 S   HC   _H55    55     1.08176   119.18252   154.85259
   59    47 S   CT   _C26    57     1.58438   110.01284   141.83734
   60    54 S   O3T  _O36    56     1.43556   114.41631    83.77591
   61    59 S   CT   _C25    58     1.60818   111.03326  -161.62699
   62    59 S   CT   _C30   102     1.53011   111.62309   -33.61757
   63    62 S   HC   _H68   103     1.09300   112.25896  -179.26034
   64    62 S   HC   _H69   104     1.09555   112.28579    61.40968
   65    62 S   HC   _H70   105     1.09262   110.54410   -57.89926
   66    61 S   CT   _C13    59     1.56306   111.52367  -170.22531
   67    66 S   HC   _H44    60     1.09548   110.11418    57.45405
   68    66 S   HC   _H45    61     1.09503   111.64158   -60.14103
   69    61 S   CT   _C17    75     1.56695   111.67218    67.44202
   70    69 S   HC   _H52    76     1.09588   110.08572  -159.79788
   71    69 S   HC   _H53    77     1.09263   111.59804   -41.04067
   72    66 S   CT   _C12    62     1.53506   113.33835   177.06662
   73    72 S   HC   _H42    63     1.09704   108.05837  -165.95041
   74    72 S   HC   _H43    64     1.09641   110.07677    77.99031
   75    69 S   OS   _O35    78     1.44075   112.08004    80.02936
   76    72 S   CM   _C8_    65     1.50463   113.41803   -44.29073
   77    75 S   CO4  _C11    79     1.36529   115.06207   168.71671
   78    77 S   O    _O30    80     1.22606   125.29395     4.24856
   79    76 S   CM   _C6_    66     1.34344   121.89359    12.81931
   80    79 S   HC   _H40    67     1.08766   119.58121  -179.10693
   81    76 S   CT   _C28    71     1.49997   116.17684  -167.40338
   82    81 S   HC   _H62    72     1.09482   110.22031   -59.00986
   83    81 S   HC   _H63    73     1.09505   112.17898  -179.02763
   84    81 S   HC   _H64    74     1.09475   110.31954    60.85030
   85    77 S   CT   _C21    81     1.52316   111.07917  -175.08833
   86    85 S   HC   _H58    82     1.09490   109.71628    41.63059
   87    61 S   CT   _C20    68     1.57785   108.82287   -52.39482
   88    87 S   HC   _H57    69     1.09595   109.12941    78.21521
   89    85 S   CT   _C22    83     1.54473   111.59105   -83.52491
   90    89 S   HC   _H59    84     1.09785   107.79086   -33.99727
   91    85 S   OH   _O38   100     1.42842   105.29381   156.06580
   92    91 S   HO   _H71   101     0.97359   107.72213    60.96586
   93    89 S   CT   _C14    85     1.54575   110.65826    85.62801
   94    93 S   HC   _H46    86     1.09686   110.02387    82.83239
   95    93 S   HC   _H47    87     1.09261   109.74816   -33.86531
   96    89 S   CT   _C29    96     1.53526   112.37692  -151.40734
   97    96 S   HC   _H65    97     1.09532   111.10162   -57.06167
   98    96 S   HC   _H66    98     1.09442   111.29607  -177.44641
   99    96 S   HC   _H67    99     1.09486   111.26949    63.49952
  100    93 S   CT   _C16    88     1.52932   113.50767  -154.24298
  101   100 S   HC   _H50    89     1.09706   108.25048  -179.03308
  102   100 S   HC   _H51    90     1.09521   110.85012   -59.04472
  103   100 S   OS   _O33    91     1.43204   108.12230    61.63191
  104   103 S   CMA  _C9_    92     1.41812   116.01708   168.94508
  105   104 S   OM   _O28    93     1.26756   124.97220    16.47111
  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   8   5   4   3
  11   6   2   1   1   9   4   6   3   5   3   6   2  10  19   8
  12   6   5  13   6  14  11   6   3   2  17   2  20   6   2   1
   1  14   7   6  10   4   3  10   4   3   7   8   9   4   7   3
   4   2   1   1  13   6   1   1  14   9   3   1  11   6   5   4
   2   1   1   5   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42   104    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44   103   104   105    40    41  
   38    39    42   104    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46   104    40    41  
   42    43    44    40  
   41    42   100   103   104   105  
  103   104   105  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    59  
   46    47  
   47    48    49    50    51    52    54    59    61    62  
   48    49    50    51    52    53    54    56    60    59    61    66    87    55    69    62    63    64    65  
   49    50    51    52    54    59    61    62  
   50    51    52    53    54    56    60    59    61    87    55    62  
   51    52    53    54    59    55  
   52    53    54    59    55  
   53    54    56    57    58    60    59    61    79    87    88    55    62  
   54    56    60    59    87    55  
   56    57    58    60    59    61    66    87    55    69    62    63    64    65  
   69    56    59    60    61    66    76    79    80    87    88  
   57    58    60    59    61    62  
   58    60    59  
   60    59  
   61    66    67    68    72    79    87    88    69    70    71    75    62    63    64    65    60  
   61    62  
   66    67    68    72    73    74    76    79    80    87    88    69    70    71    75    77    62    63    64    65  
   63    64    65    66    69    87  
   64    65  
   65  
    0  
   67    68    72    73    74    76    79    87    88    81    69    70    71    75  
   68    72    73    74    76    87    69  
   72    73    74    76    87    69  
   70    71    75    77    78    85    72    79    87    88  
   71    75    77    87  
   75    77    87  
   73    74    76    79    80    87    81    82    83    84  
   74    76    79    81  
   76    79    81  
   77    78    85    86    89    91    87  
   79    80    87    88    81    82    83    84  
   78    85    86    89    90    93    96    91    92  
   85    86    89    91  
   80    87    88    81    82    83    84  
   87    88    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    93    94    95   100    96    97    98    99    91    92  
   89    90    93    96    91    92  
   88  
    0  
   90    93    94    95   100   101   102   103    96    97    98    99    91    92  
   93    94    95   100    96    97    98    99    91  
   92    93    96  
    0  
   94    95   100   101   102   103   104    96    97    98    99  
   95   100   101   102   103    96  
  100   101   102   103    96  
   97    98    99   100  
   98    99  
   99  
    0  
  101   102   103   104   105  
  102   103   104  
  103   104  
  104   105  
  105  
    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  -0.115000   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
  104   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
  105   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
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    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   320.000  1.462
   44    45   570.000  1.229
   44    46   214.000  1.327
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    59   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    56   260.000  1.509
   54    60   335.000  1.432
   54    59   275.000  1.510
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    60   335.000  1.432
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    66   268.000  1.529
   61    87   268.000  1.529
   61    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   317.000  1.510
   76    79   549.000  1.340
   76    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    55   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   320.000  1.410
   75    77   214.000  1.327
   77    78   570.000  1.229
   77    85   317.000  1.522
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    91   320.000  1.410
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    96   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   320.000  1.410
  103   104   440.000  1.360
  104   105   745.000  1.250
  104    40   465.000  1.376
   40    41   340.000  1.080
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   91    92   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40   104    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    44    45    80.00000  123.72100
   42    44    46    90.00000  111.29400
   44    42    43    40.00000  117.72500
   44    46    47    83.00000  116.90000
   46    44    45    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    59    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    59    54    70.00000  112.37300
   47    59    61    58.35000  112.70000
   47    59    62    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    70.00000  112.37300
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    56    60.00000  120.94000
   52    54    60    80.00000  116.47100
   52    54    59    58.35000  112.70000
   52    55    87    60.00000  109.50000
   54    52    53    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    58    37.50000  117.20000
   54    56    60    15.00000   60.43100
   54    60    56    15.00000   59.14900
   54    59    61    70.00000  112.37300
   54    59    62    70.00000  112.37300
   58    56    57    35.00000  114.30000
   60    54    56    15.00000   60.43100
   60    56    57    50.00000  114.27700
   60    56    58    50.00000  114.27700
   59    47    48    37.50000  110.70000
   59    47    49    58.35000  112.70000
   59    54    56    60.00000  120.94000
   59    54    60    80.00000  116.47100
   59    61    66    58.35000  112.70000
   59    61    87    58.35000  112.70000
   59    61    69    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    72    58.35000  112.70000
   61    87    79    70.00000  112.02700
   61    87    88    37.50000  110.70000
   61    87    55    50.00000  109.50000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    75    50.00000  109.50000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    76    70.00000  112.02700
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    76    79    70.00000  124.00000
   72    76    81    65.00000  117.92700
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   76    79    80    35.00000  120.00000
   76    79    87    70.00000  124.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    55    85.00000  110.90400
   87    61    66    58.35000  112.70000
   87    79    80    35.00000  117.00000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    87    88    35.00000  109.50000
   81    76    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    61    66    58.35000  112.70000
   69    61    87    58.35000  112.70000
   69    75    77    83.00000  116.90000
   71    69    70    33.00000  107.80000
   75    69    70    35.00000  109.50000
   75    69    71    35.00000  109.50000
   75    77    78    83.00000  123.40000
   75    77    85    81.00000  111.40000
   77    85    86    35.00000  109.50000
   77    85    89    63.00000  111.10000
   77    85    91    90.00000  109.61100
   85    77    78    80.00000  120.40000
   85    89    90    37.50000  110.70000
   85    89    93    58.35000  112.70000
   85    89    96    58.35000  112.70000
   85    91    92    55.00000  108.50000
   89    85    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93   100    58.35000  112.70000
   89    96    97    37.50000  110.70000
   89    96    98    37.50000  110.70000
   89    96    99    37.50000  110.70000
   93    89    90    37.50000  110.70000
   93   100   101    37.50000  110.70000
   93   100   102    37.50000  110.70000
   93   100   103    50.00000  109.50000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   103   104    90.00000  111.18400
  102   100   101    33.00000  107.80000
  103   100   101    35.00000  109.50000
  103   100   102    35.00000  109.50000
  103   104   105    65.00000  121.00000
  103   104    40    80.00000  120.01400
  104    40    41    40.00000  120.50800
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40   104   105    65.00000  137.10300
   96    89    90    37.50000  110.70000
   96    89    93    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   91    85    86    35.00000  109.50000
   91    85    89    50.00000  109.50000
   62    59    61    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
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   90    89    96    97   0.15000  1.0 3.0
   90    89    96    98   0.15000  1.0 3.0
   90    89    96    99   0.15000  1.0 3.0
   93    89    96    97   0.15000  1.0 3.0
   93    89    96    98   0.15000  1.0 3.0
   93    89    96    99   0.15000  1.0 3.0
   93   100   103   104  -0.46850  1.0 1.0
   93   100   103   104   0.09300 -1.0 2.0
   93   100   103   104  -0.12850  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   102   0.15000  1.0 3.0
   94    93   100   103   0.23400  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   102   0.15000  1.0 3.0
   95    93   100   103   0.23400  1.0 3.0
  100   103   104   105   2.00000 -1.0 2.0
  100   103   104    40  -2.26850  1.0 1.0
  100   103   104    40   3.39050 -1.0 2.0
  101   100   103   104   0.08050  1.0 3.0
  102   100   103   104   0.08050  1.0 3.0
  103   104    40    33   7.00000 -1.0 2.0
  103   104    40    41   7.00000 -1.0 2.0
  105   104    40    33   7.00000 -1.0 2.0
  105   104    40    41   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   96    89    93    94   0.15000  1.0 3.0
   96    89    93    95   0.15000  1.0 3.0
   96    89    93   100   0.56750  1.0 1.0
   96    89    93   100  -0.07550 -1.0 2.0
   96    89    93   100   0.20000  1.0 3.0
   91    85    89    90   0.23400  1.0 3.0
   91    85    89    93   0.86500  1.0 1.0
   91    85    89    93  -0.17500 -1.0 2.0
   91    85    89    93   0.20800  1.0 3.0
   91    85    89    96   0.86500  1.0 1.0
   91    85    89    96  -0.17500 -1.0 2.0
   91    85    89    96   0.20800  1.0 3.0
   62    59    61    66   0.56750  1.0 1.0
   62    59    61    66  -0.07550 -1.0 2.0
   62    59    61    66   0.20000  1.0 3.0
   62    59    61    87   0.56750  1.0 1.0
   62    59    61    87  -0.07550 -1.0 2.0
   62    59    61    87   0.20000  1.0 3.0
   62    59    61    69   0.56750  1.0 1.0
   62    59    61    69  -0.07550 -1.0 2.0
   62    59    61    69   0.20000  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    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   72    81    76    79   1.10000 -1.0 2.0
   87    80    79    76   1.10000 -1.0 2.0
   75    85    77    78  10.50000 -1.0 2.0
  103   105   104    40   1.10000 -1.0 2.0
   33    41    40   104   1.10000 -1.0 2.0
END
