* LIGAND DATABASE FILE (OPLS2005)
*
001     111   116    215    343     630
    1     0 S   NP   _N1_     1    29.39289    96.45899   -27.26447
    2     1 S   H    _HN1     2     1.02946    65.95942     8.73372
    3     1 S   H    _H1_     3     1.02824    41.84155  -159.99991
    4     1 S   H    _H2_     4     1.02794   127.80705   -86.47083
    5     1 S   CT   _CA1     5     1.50137   118.28074   109.88158
    6     5 S   HC   _HA1     6     1.09575   105.14250   104.80784
    7     5 S   CO3  _C1_     7     1.53753   112.47067   -15.36314
    8     7 S   O2Z  _O11     8     1.26378   114.99765   -42.17859
    9     7 S   O2Z  _O12     9     1.26235   114.93734   136.75257
   10     5 S   CT   _CB1    10     1.53045   107.38348  -137.24810
   11    10 S   HC   HB11    11     1.09845   109.27360   -49.35808
   12    10 S   HC   HB12    12     1.09810   110.49432    67.21192
   13    10 S   CT   _CG1    13     1.53035   112.68439  -170.29611
   14    13 S   HC   HG11    14     1.09564   110.76322   -68.50891
   15    13 S   HC   HG12    15     1.09669   109.68104    50.76006
   16    13 S   C    _CD1    16     1.51817   111.85965   171.21857
   17    16 S   O    _OE1    17     1.22758   123.12091    14.33600
   18    16 S   N    _N2_    18     1.38640   111.91687  -165.64513
   19    18 S   H    _HN2    19     1.01571   118.99301     0.56371
   20    18 S   CT1  _CA2    20     1.46215   123.30652   175.70737
   21    20 S   HC   _HA2    21     1.09749   109.31372     6.94597
   22    20 S   C    _C2_    22     1.53665   108.64616  -108.51165
   23    22 S   O    _O2_    23     1.23075   122.27137  -147.71736
   24    20 S   CT   _CB2    32     1.53321   111.77211   129.00118
   25    24 S   HC   HB21    33     1.09577   110.25028    56.86361
   26    24 S   HC   HB22    34     1.09421   109.74817   175.96517
   27    22 S   N    _N3_    24     1.38324   113.80464    39.66046
   28    27 S   H    _HN3    25     1.01548   119.59719    -2.97249
   29    24 S   S    _SG2    35     1.82482   111.45657   -64.11949
   30    27 S   CT   _CA3    26     1.45277   123.31750   177.32753
   31    30 S   HC   HA31    27     1.09546   107.46760   -65.84463
   32    30 S   HC   HA32    28     1.09554   108.05344    50.62687
   33    29 S   CT   _C18    36     1.83885    99.74296   175.40701
   34    33 S   HC   _H5_    37     1.09740   107.42487   -52.00708
   35    30 S   CO3  _C3_    29     1.52989   114.02667   172.63859
   36    35 S   O2Z  _O31    30     1.26389   116.08220    -1.28603
   37    35 S   O2Z  _O32    31     1.26430   114.41045   178.79309
   38    33 S   CM   _C19    38     1.53405   110.57601  -171.24765
   39    33 S   CT   _C17    84     1.53785   113.82901    67.57846
   40    39 S   HC   _H4_    85     1.09379   112.00917   -66.20288
   41    38 S   CMA  _C20    39     1.35947   121.75703    80.51347
   42    41 S   OM   _O34    40     1.26794   126.04529    -5.98871
   43    39 S   CO4  _C21    86     1.52194   107.63026    55.69449
   44    43 S   O    _O35    87     1.22758   121.91755  -123.00663
   45    41 S   CA   _C12    41     1.51585   113.53425   173.23723
   46    61 S   CT   _C22    88     1.55811   115.20424    43.24403
   47    45 S   CA   _C13    42     1.40266   120.31845    12.37997
   48    46 S   OS   _O36    89     1.44624   104.36258  -161.79687
   49    46 S   CT   _C26    99     1.53880   114.50974    77.85696
   50    49 S   HC   _H20   100     1.09783   109.11867    59.85501
   51    49 S   HC   _H21   101     1.09097   109.68910   -56.00310
   52    47 S   CA   _C8_    43     1.41756   121.83807   170.98759
   53    47 S   OS   _O33    77     1.36434   122.70172    -7.69559
   54    74 S   CT   _C23    90     1.55998   102.64863   161.14890
   55    49 S   CM   _C27   102     1.50840   114.12003   177.42625
   56    55 S   HC   _H22   103     1.09070   113.21594   -59.23983
   57    52 S   CA   _C9_    44     1.40673   119.32995     5.57021
   58    52 S   CT   _C7_    63     1.52152   121.12925  -171.06178
   59    58 S   HC   _H10    64     1.09386   109.40009  -140.85120
   60    58 S   HC   _H11    65     1.09278   110.86257   -26.73122
   61    38 S   CT   _C14    78     1.52334   113.18106  -108.52139
   62    54 S   CT   _C24    91     1.53398   116.71395  -143.06877
   63    62 S   HC   _H14    92     1.09706   110.57729  -176.58711
   64    62 S   HC   _H15    93     1.09477   112.11498    66.75832
   65    62 S   HC   _H16    94     1.09471   111.61971   -56.37056
   66    54 S   CT   _C25    95     1.53380   111.75353    93.67261
   67    66 S   HC   _H17    96     1.09608   110.95747  -168.78544
   68    66 S   HC   _H18    97     1.09538   111.14938    70.26085
   69    66 S   HC   _H19    98     1.08753   112.36502   -50.10670
   70    55 S   CM   _C28   104     1.34492   129.88968   121.05758
   71    57 S   CA   _C10    45     1.39352   120.46104    -1.44374
   72    58 S   CM   _C6_    66     1.50557   111.95209    92.80040
   73    72 S   HC   _H9_    67     1.09031   113.90351   -61.82603
   74    61 S   CT   _C15    79     1.56101   110.69900   -65.62199
   75    74 S   HC   _H3_    80     1.09617   113.13172   -79.79244
   76    70 S   CO4  _C30   105     1.48758   122.51583     0.16551
   77    76 S   O    _O37   106     1.22659   122.64484  -178.97875
   78    76 S   HC   _H26   107     1.09779   116.91135     1.38692
   79    70 S   CT   _C29   108     1.50126   121.82480  -179.63043
   80    79 S   HC   _H23   109     1.09511   110.42258   119.74596
   81    79 S   HC   _H24   110     1.09521   112.19400    -0.17471
   82    79 S   HC   _H25   111     1.09507   110.43671  -120.13169
   83    45 S   CA   _C11    46     1.42195   123.09427  -170.85325
   84    71 S   CM   _C31    49     1.46029   119.14007  -180.00000
   85    84 S   HC   _H28    50     1.08343   120.32107   175.89940
   86    72 S   CM   _C5_    68     1.34678   128.35304   119.22962
   87    74 S   CT   _C16    81     1.55998   107.47967    41.34311
   88    87 S   HC   _H12    82     1.09876   108.73089   -96.64390
   89    87 S   HC   _H13    83     1.09200   113.00901   147.50318
   90    83 S   OH   _O38    47     1.37870   121.53917     5.77625
   91    90 S   HO   _H27    48     0.97507   107.74731    -4.20365
   92    84 S   CM   _C32    51     1.33417   118.86315    -5.16240
   93    92 S   HC   _H29    52     1.08695   118.99840  -178.42256
   94    86 S   CT   _C4_    69     1.50618   120.27532   179.43768
   95    94 S   HC   _H6_    70     1.09500   110.23458   119.86403
   96    94 S   HC   _H7_    71     1.09497   110.23536  -120.32628
   97    94 S   HC   _H8_    72     1.09513   112.45640    -0.22642
   98    86 S   CT   _C36    73     1.50218   125.53421    -0.60620
   99    98 S   HC   _H36    74     1.09510   110.00386   118.19084
  100    98 S   HC   _H37    75     1.09509   109.99005  -122.69982
  101    98 S   HC   _H38    76     1.09135   113.81462    -2.41589
  102    92 S   CT   _C33    53     1.50529   122.61028     0.69942
  103    57 S   OS   _O39    54     1.37020   116.76029   179.95577
  104   102 S   CT   _C34    55     1.53328   109.17772   128.56540
  105   104 S   HC   _H30    56     1.09611   110.86194   178.84869
  106   104 S   HC   _H31    57     1.09562   112.06434    57.90883
  107   104 S   HC   _H32    58     1.09675   110.87550   -63.30025
  108   102 S   CT   _C35    59     1.53293   109.74331  -111.27002
  109   108 S   HC   _H33    60     1.09642   110.82167  -179.68721
  110   108 S   HC   _H34    61     1.09666   110.95409    62.51586
  111   108 S   HC   _H35    62     1.09555   111.97627   -58.55963
  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
  16   7   2   1   1  17  14   7  11   4  14   5  11  16  13  18
  11   5   4  14   8  14  10   3  14   9   4   3   7  10   4   3
   2   6   3   2   1   7   9  10   3   4   3   6   2   1   3   2
   1   1   6   8   3   8   2   1   1   1   1  11   4   7   3   2
   1   3   2   1   1   9   8   7   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    61    87    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    61    74    87    88    89    39    40    43    44    46  
   38    41    61    87    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    83    53    61    74    75    87    39    40    43    46    48    54    49  
   40    43    44    46    48    54    49    41    61    74    75    87    88    89  
   43    44    46    74    87    88    89  
   42    45    47    52    71    83    90    53    61    74    46  
   45    47    83    61  
   44    46    48    54    49    50    51    55    53    61    74    87    88    89  
   46    48    49    61    87  
   47    52    57    71    83    90    91    84    58    53    61  
   48    54    62    66    49    50    51    55    56    70    47    53    61    74    75    87  
   52    57    71    83    90   103    58    59    60    72    53    61    74  
   54    62    63    64    65    66    67    68    69    49    50    51    55    53    61    74    75    87  
   50    51    55    56    70    76    79    53    54    61    74  
   51    55    56    70    61  
   55    56    70    61  
   57    71    83    84   102   103    58    59    60    72    73    86    53    61  
   61    74    75    87    54    57    58    83  
   62    63    64    65    66    67    68    69    61    74    75    87    88    89  
   56    70    76    77    78    79    80    81    82    61  
   70    76    79  
   71    83    90    84    85    92   102   103   104   108    58    59    60    72  
   59    60    72    73    86    94    98    71   103  
   60    72    73    86  
   72    73    86  
   74    75    87    88    89    62    66  
   63    64    65    66    67    68    69    74    75    87  
   64    65    66    74  
   65    66    74  
   66    74  
   67    68    69    74    75    87  
   68    69    74  
   69    74  
   74  
   76    77    78    79    80    81    82  
   83    90    91    84    85    92    93   102   103  
   73    86    94    95    96    97    98    99   100   101  
   86    94    98  
   75    87    88    89  
   87    88    89  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   90    91    84    85    92   103  
   85    92    93   102   103   104   108    90  
   92    93   102  
   94    95    96    97    98    99   100   101  
   88    89  
   89  
    0  
   91  
    0  
   93   102   103   104   105   106   107   108   109   110   111  
  102   103   104   108  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.269000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   78   2.4200   0.0150   0.000000   1.3810   1.2100   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.269000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   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    39   268.000  1.529
   38    41   465.000  1.376
   38    61   317.000  1.510
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    47   469.000  1.400
   45    83   469.000  1.400
   47    52   469.000  1.400
   47    53   450.000  1.364
   52    57   469.000  1.400
   52    58   317.000  1.510
   57    71   469.000  1.400
   57   103   450.000  1.364
   71    83   469.000  1.400
   71    84   320.000  1.460
   83    90   450.000  1.364
   90    91   553.000  0.945
   84    85   340.000  1.080
   84    92   549.000  1.340
   92    93   340.000  1.080
   92   102   317.000  1.510
  102   103   320.000  1.410
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    72   317.000  1.510
   72    73   340.000  1.080
   72    86   549.000  1.340
   86    94   317.000  1.510
   86    98   317.000  1.510
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   53    61   320.000  1.410
   61    74   268.000  1.529
   61    46   268.000  1.529
   74    75   340.000  1.090
   74    87   268.000  1.529
   74    54   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    39   268.000  1.529
   39    40   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    48   320.000  1.410
   46    49   268.000  1.529
   48    54   320.000  1.410
   54    62   268.000  1.529
   54    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.510
   55    56   340.000  1.080
   55    70   549.000  1.340
   70    76   320.000  1.462
   70    79   317.000  1.510
   76    77   570.000  1.229
   76    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    61    65.00000  117.92700
   33    39    87    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    45    60.00000  123.20500
   38    61    53    85.00000  110.90400
   38    61    74    70.00000  112.02700
   38    61    46    70.00000  112.02700
   41    45    47    60.00000  120.93500
   41    45    83    60.00000  120.93500
   45    41    42    85.00000  114.86500
   45    47    52    63.00000  120.00000
   45    47    53    70.00000  120.00000
   45    83    71    63.00000  120.00000
   45    83    90    70.00000  120.00000
   47    52    57    63.00000  120.00000
   47    52    58    70.00000  120.00000
   47    53    61    75.00000  111.00000
   52    57    71    63.00000  120.00000
   52    57   103    70.00000  120.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    72    70.00000  112.99600
   57    71    83    63.00000  120.00000
   57    71    84    60.00000  120.93500
   57   103   102    75.00000  111.00000
   71    83    90    70.00000  120.00000
   71    84    85    40.00000  117.26300
   71    84    92    60.00000  123.20500
   83    45    47    63.00000  120.00000
   83    90    91    35.00000  113.00000
   84    71    83    60.00000  120.93500
   84    92    93    35.00000  120.00000
   84    92   102    70.00000  124.00000
   92    84    85    35.00000  120.00000
   92   102   103    85.00000  110.90400
   92   102   104    70.00000  112.02700
   92   102   108    70.00000  112.02700
  102    92    93    35.00000  117.00000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  103    57    71    70.00000  120.00000
  104   102   103    50.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    50.00000  109.50000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   58    52    57    70.00000  120.00000
   58    72    73    35.00000  117.00000
   58    72    86    70.00000  124.00000
   60    58    59    33.00000  107.80000
   72    58    59    35.00000  109.50000
   72    58    60    35.00000  109.50000
   72    86    94    70.00000  124.00000
   72    86    98    70.00000  124.00000
   86    72    73    35.00000  120.00000
   86    94    95    35.00000  109.50000
   86    94    96    35.00000  109.50000
   86    94    97    35.00000  109.50000
   86    98    99    35.00000  109.50000
   86    98   100    35.00000  109.50000
   86    98   101    35.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    86    94    65.00000  117.92700
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   53    47    52    70.00000  120.00000
   53    61    74    50.00000  109.50000
   53    61    46    50.00000  109.50000
   61    38    41    70.00000  124.00000
   61    74    75    37.50000  110.70000
   61    74    87    58.35000  112.70000
   61    74    54    58.35000  112.70000
   61    46    43    63.00000  111.10000
   61    46    48    50.00000  109.50000
   61    46    49    58.35000  112.70000
   74    87    88    37.50000  110.70000
   74    87    89    37.50000  110.70000
   74    87    39    58.35000  112.70000
   74    54    48    50.00000  109.50000
   74    54    62    58.35000  112.70000
   74    54    66    58.35000  112.70000
   87    74    75    37.50000  110.70000
   87    39    40    37.50000  110.70000
   87    39    43    63.00000  111.10000
   89    87    88    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    87    88    37.50000  110.70000
   39    87    89    37.50000  110.70000
   39    43    44    80.00000  120.40000
   39    43    46    70.00000  116.00000
   43    39    40    35.00000  109.50000
   43    46    48    90.00000  108.74100
   43    46    49    63.00000  111.10000
   46    61    74    58.35000  112.70000
   46    43    44    80.00000  120.40000
   46    48    54    60.00000  109.50000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    55    70.00000  112.02700
   48    54    62    50.00000  109.50000
   48    54    66    50.00000  109.50000
   54    74    75    37.50000  110.70000
   54    74    87    58.35000  112.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    37.50000  110.70000
   54    66    67    37.50000  110.70000
   54    66    68    37.50000  110.70000
   54    66    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    54    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   49    46    48    50.00000  109.50000
   49    55    56    35.00000  117.00000
   49    55    70    70.00000  124.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    70    76    65.00000  118.96000
   55    70    79    70.00000  124.00000
   70    55    56    35.00000  120.00000
   70    76    77    80.00000  123.72100
   70    76    78    40.00000  115.75000
   70    79    80    35.00000  109.50000
   70    79    81    35.00000  109.50000
   70    79    82    35.00000  109.50000
   78    76    77    35.00000  123.00000
   79    70    76    65.00000  116.34900
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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
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   39    43    46    49   0.05600 -1.0 2.0
   39    43    46    49   0.26150  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    46   0.00000  1.0 1.0
   43    46    48    54  -1.11000  1.0 1.0
   43    46    48    54   0.50250 -1.0 2.0
   43    46    48    54   0.47450  1.0 3.0
   43    46    49    50  -0.11250  1.0 3.0
   43    46    49    51  -0.11250  1.0 3.0
   43    46    49    55  -0.98800  1.0 1.0
   43    46    49    55   0.48800 -1.0 2.0
   43    46    49    55   0.76800  1.0 3.0
   44    43    46    61   0.30150 -1.0 2.0
   44    43    46    48   0.30150 -1.0 2.0
   44    43    46    49   0.30150 -1.0 2.0
   46    61    74    75   0.15000  1.0 3.0
   46    61   -74    87   0.56750  1.0 1.0
   46    61   -74    87  -0.07550 -1.0 2.0
   46    61   -74    87   0.20000  1.0 3.0
   46    61   -74    54   0.56750  1.0 1.0
   46    61   -74    54  -0.07550 -1.0 2.0
   46    61   -74    54   0.20000  1.0 3.0
   46    48   -54    74   0.06250  1.0 1.0
   46    48   -54    74  -0.01100 -1.0 2.0
   46    48   -54    74   0.28050  1.0 3.0
   46    48    54    62   0.06250  1.0 1.0
   46    48    54    62  -0.01100 -1.0 2.0
   46    48    54    62   0.28050  1.0 3.0
   46    48    54    66   0.06250  1.0 1.0
   46    48    54    66  -0.01100 -1.0 2.0
   46    48    54    66   0.28050  1.0 3.0
   46    49    55    56   0.00000  1.0 1.0
   46    49    55    70   0.09850  1.0 1.0
   46    49    55    70   0.15250 -1.0 2.0
   46    49    55    70  -0.50650  1.0 3.0
   48    46    49    50   0.23400  1.0 3.0
   48    46    49    51   0.23400  1.0 3.0
   48    46    49    55   0.61850  1.0 1.0
   48    46    49    55  -0.22750 -1.0 2.0
   48    46    49    55   0.15300  1.0 3.0
   48    54    62    63   0.23400  1.0 3.0
   48    54    62    64   0.23400  1.0 3.0
   48    54    62    65   0.23400  1.0 3.0
   48    54    66    67   0.23400  1.0 3.0
   48    54    66    68   0.23400  1.0 3.0
   48    54    66    69   0.23400  1.0 3.0
   54    74    87    88   0.15000  1.0 3.0
   54    74    87    89   0.15000  1.0 3.0
   54    74    87    39   0.56750  1.0 1.0
   54    74    87    39  -0.07550 -1.0 2.0
   54    74    87    39   0.20000  1.0 3.0
   62    54    66    67   0.15000  1.0 3.0
   62    54    66    68   0.15000  1.0 3.0
   62    54    66    69   0.15000  1.0 3.0
   66    54    62    63   0.15000  1.0 3.0
   66    54    62    64   0.15000  1.0 3.0
   66    54    62    65   0.15000  1.0 3.0
   49    46    48    54   0.06250  1.0 1.0
   49    46    48    54  -0.01100 -1.0 2.0
   49    46    48    54   0.28050  1.0 3.0
   49    55    70    76   7.00000 -1.0 2.0
   49    55    70    79   7.00000 -1.0 2.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    70   0.00000  1.0 1.0
   51    49    55    56   0.33100  1.0 3.0
   51    49    55    70   0.00000  1.0 1.0
   55    70    76    77   1.00000 -1.0 2.0
   55    70    76    78  -0.79650  1.0 1.0
   55    70    76    78   1.60950 -1.0 2.0
   55    70    76    78  -0.26250  1.0 3.0
   55    70    79    80   0.00000  1.0 1.0
   55    70    79    81   0.00000  1.0 1.0
   55    70    79    82   0.00000  1.0 1.0
   56    55    70    76   7.00000 -1.0 2.0
   56    55    70    79   7.00000 -1.0 2.0
   76    70    79    80   0.15000  1.0 3.0
   76    70    79    81   0.15000  1.0 3.0
   76    70    79    82   0.15000  1.0 3.0
   79    70    76    77  -0.64400  1.0 1.0
   79    70    76    77   0.26850 -1.0 2.0
   79    70    76    78  -0.07900  1.0 1.0
   79    70    76    78   0.77700 -1.0 2.0
   79    70    76    78   0.13200  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    61    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    83    45    41   4.00000 -1.0 2.0
   52    53    47    45   4.00000 -1.0 2.0
   57    58    52    47   4.00000 -1.0 2.0
   71   103    57    52   4.00000 -1.0 2.0
   83    84    71    57   4.00000 -1.0 2.0
   71    90    83    45   4.00000 -1.0 2.0
   71    85    84    92   1.10000 -1.0 2.0
  102    93    92    84   1.10000 -1.0 2.0
   58    73    72    86  15.00000 -1.0 2.0
   94    98    86    72  15.00000 -1.0 2.0
   39    46    43    44  10.50000 -1.0 2.0
   49    56    55    70  15.00000 -1.0 2.0
   76    79    70    55  15.00000 -1.0 2.0
   70    78    76    77  10.50000 -1.0 2.0
END
