* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    202    326     593
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034    95.44273    30.71875
    3     1 S   H    _H1_     3     1.02156    34.00709   146.46350
    4     1 S   H    _H2_     4     1.02072    84.48582   -77.59619
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C34    36     1.82958    97.92579   161.85094
   34    33 S   HC   _H3_    37     1.09605   106.87977    39.36266
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C19    38     1.50773   108.23085   -80.00838
   39    38 S   HC   _H52    39     1.08961   117.09517   -63.81423
   40    33 S   CT   _C33    92     1.53446   109.11730   157.94029
   41    40 S   HC   _H70    93     1.09761   110.24740   -60.23142
   42    40 S   HC   _H71    94     1.09784   110.78826    58.80844
   43    38 S   CM   _C16    40     1.34178   123.43894   116.82854
   44    43 S   HC   _H49    41     1.08735   119.51540    -0.31590
   45    40 S   C    _C21    95     1.52411   113.26343  -179.05498
   46    45 S   O    _O37    96     1.22869   123.17431    32.40121
   47    43 S   CM   _C15    42     1.44459   123.14089   179.60733
   48    47 S   HC   _H48    43     1.08722   117.39593    -0.04423
   49    45 S   N    _N33    97     1.38984   111.39508  -148.84121
   50    49 S   H    _H74    98     1.01680   119.57692     1.29573
   51    47 S   CM   _C18    44     1.34192   123.13278  -179.94766
   52    51 S   HC   _H51    45     1.08781   120.03936    -0.05234
   53    49 S   CM   _C6_    99     1.36415   123.68721  -178.71108
   54    51 S   CT   _C32    46     1.49325   123.68117  -180.00000
   55    53 S   CM   _C7_   100     1.33129   129.55554   -29.97553
   56    54 S   CM   _C4_    47     1.51942   109.10563    59.95568
   57    56 S   HC   _H42    48     1.09062   115.59590    59.76759
   58    54 S   OH   _O40    90     1.43745   107.91426   174.82983
   59    58 S   HO   _H76    91     0.96553   105.87186    63.21070
   60    55 S   CT   _C22   101     1.49347   115.24301   179.96044
   61    60 S   HC   _H53   102     1.09559   111.20753   119.58061
   62    60 S   HC   _H54   103     1.09519   111.22872  -119.56492
   63    55 S   OH   _O39   109     1.36806   125.01785     0.02798
   64    63 S   HO   _H75   110     0.96631   110.49566   179.97202
   65    56 S   CM   _C5_    49     1.34162   126.02559  -119.35331
   66    60 S   CT   _C23   104     1.52859   104.22105     0.00000
   67    66 S   HC   _H55   105     1.09342   111.39849  -118.05431
   68    66 S   HC   _H56   106     1.09303   111.44558   118.08924
   69    65 S   CO4  _C8_    50     1.48827   121.46756    -1.69212
   70    69 S   O    _O34    51     1.22492   122.39371   178.23719
   71    65 S   N    _N32    57     1.36506   121.57548   178.70457
   72    71 S   H    _H73    58     1.01654   116.32735   149.98693
   73    53 S   CO4  _C9_   107     1.46910   124.20465   149.98917
   74    73 S   O    _O35   108     1.22172   124.17137     0.06853
   75    69 S   C3T  _C29    52     1.47675   117.40907    -2.40973
   76    75 S   HC   _H67    53     1.08393   116.42484   154.51245
   77    71 S   C    _C20    59     1.38652   123.46791   -29.92075
   78    77 S   O    _O36    60     1.22766   125.96179    -0.06853
   79    54 S   C3T  _C31    54     1.51104   112.22281   -67.17419
   80    79 S   HC   _H69    55     1.08096   114.56267   -36.07130
   81    77 S   CM   _C13    61     1.49011   111.64618  -180.00000
   82    81 S   HC   _H46    62     1.08557   118.48567    -0.03956
   83    75 S   O3T  _O38    56     1.43712   113.00351   -65.19930
   84    81 S   CM   _C12    63     1.34022   120.16994   179.96574
   85    84 S   HC   _H45    64     1.08743   120.59690     0.04846
   86    84 S   CM   _C10    65     1.44758   122.66509  -179.98022
   87    86 S   HC   _H43    66     1.08724   116.92618     0.30519
   88    86 S   CM   _C11    67     1.34235   122.92976   180.00000
   89    88 S   HC   _H44    68     1.08838   120.13142    -1.69743
   90    88 S   CM   _C14    69     1.44706   125.16111  -178.55924
   91    90 S   HC   _H47    70     1.08721   114.95771     3.17527
   92    90 S   CM   _C17    71     1.34132   125.31442  -180.00000
   93    92 S   HC   _H50    72     1.08695   120.29880     1.26114
   94    92 S   CT   _C30    73     1.50023   123.57040  -178.47710
   95    94 S   HC   _H68    74     1.08138   107.62392    -0.02798
   96    94 S   CT   _C27    75     1.53040   109.92041   118.51012
   97    96 S   HC   _H63    76     1.08910   111.14423    53.16531
   98    96 S   HC   _H64    77     1.09270   108.76539   -64.47641
   99    96 S   CT   _C25    78     1.52576   111.66586   176.17848
  100    99 S   HC   _H59    79     1.09594   109.70593  -175.86876
  101    99 S   HC   _H60    80     1.09543   109.59003    67.15109
  102    99 S   CT   _C24    81     1.52586   111.66353   -54.40018
  103   102 S   HC   _H57    82     1.09751   109.47051   175.96988
  104   102 S   HC   _H58    83     1.09589   109.59950   -67.09728
  105   102 S   CT   _C26    84     1.52534   111.57032    54.53595
  106   105 S   HC   _H61    85     1.09646   109.44029    66.87153
  107   105 S   HC   _H62    86     1.09696   109.54998  -176.49547
  108    94 S   CT   _C28    87     1.52972   109.91147  -118.47066
  109   108 S   HC   _H65    88     1.09361   109.00424    64.17951
  110   108 S   HC   _H66    89     1.09126   111.11978   -53.28816
  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
  12   7   2   1   1  10   4   8   4   3   6   3   6   3   7   3
   8   3  11   4  11  12  10  13   5   6   1   9   6   5   3   1
  11   4   3   2   9   5   7   3   1   1   4   3   6   3   2   1
   6   3   1   6   3   6   3   6   3   7   3  11   4  14   8  12
   6   5   9   5   4   8   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    49  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    49    50    53    43  
   42    45    46    49  
   45    46    49  
   44    47    48    51    52    54  
   47    48    51  
   46    49    50    53    55    73  
   49    50    53  
   48    51    52    54    56    79    58  
   51    52    54  
   50    53    55    60    66    73    74    63  
   53    55    73  
   52    54    56    57    65    75    79    80    83    58    59  
   54    56    79    58  
   55    60    61    62    66    67    68    73    74    63    64  
   56    57    65    69    75    76    79    80    83    71    58    59  
   60    61    62    66    67    68    73    74    63    64  
   57    65    69    70    75    79    80    83    71    72    77    58    59  
   65    69    79    71    58  
   59    65    75    79    80    83  
   79  
   61    62    66    67    68    73    74    63    64  
   62    66    67    68    73    63  
   66    67    68    73    63  
   64    66    73  
    0  
   69    70    75    76    79    83    71    72    77    78    81  
   67    68    73    74  
   68    73    74  
   73    74  
   70    75    76    79    80    83    71    72    77  
   75    76    79    83    71  
   72    77    78    81    82    84    75  
   77    78    81  
   74  
    0  
   76    79    80    83  
   79    80    83  
   78    81    82    84    85    86  
   81    82    84  
   80    83  
   83  
   82    84    85    86    87    88  
   84    85    86  
    0  
   85    86    87    88    89    90  
   86    87    88  
   87    88    89    90    91    92  
   88    89    90  
   89    90    91    92    93    94  
   90    91    92  
   91    92    93    94    95    96   108  
   92    93    94  
   93    94    95    96    97    98    99   105   108   109   110  
   94    95    96   108  
   95    96    97    98    99   100   101   102   105   106   107   108   109   110  
   96    97    98    99   105   108   109   110  
   97    98    99   100   101   102   103   104   105   108   109   110  
   98    99   100   101   102   108  
   99   100   101   102   108  
  100   101   102   103   104   105   106   107   108  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108   109   110  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   72   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   79   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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
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   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    54   317.000  1.510
   54    56   317.000  1.510
   54    79   275.000  1.510
   54    58   320.000  1.410
   56    57   340.000  1.080
   56    65   549.000  1.340
   65    69   320.000  1.462
   65    71   400.000  1.384
   69    70   570.000  1.229
   69    75   290.000  1.496
   75    76   340.000  1.088
   75    79   260.000  1.509
   75    83   335.000  1.432
   79    80   340.000  1.088
   79    83   335.000  1.432
   71    72   434.000  1.010
   71    77   490.000  1.335
   77    78   570.000  1.229
   77    81   410.000  1.444
   81    82   340.000  1.080
   81    84   549.000  1.340
   84    85   340.000  1.080
   84    86   380.000  1.444
   86    87   340.000  1.080
   86    88   549.000  1.340
   88    89   340.000  1.080
   88    90   380.000  1.444
   90    91   340.000  1.080
   90    92   549.000  1.340
   92    93   340.000  1.080
   92    94   317.000  1.510
   94    95   340.000  1.090
   94    96   268.000  1.529
   94   108   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  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   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
   58    59   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    53   400.000  1.384
   53    55   549.000  1.340
   53    73   320.000  1.462
   55    60   317.000  1.510
   55    63   510.000  1.338
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   317.000  1.522
   73    74   570.000  1.229
   63    64   553.000  0.945
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  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    54    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    54    56    70.00000  110.12100
   51    54    79    70.00000  112.02700
   51    54    58    90.00000  110.39200
   54    51    52    35.00000  117.00000
   54    56    57    35.00000  117.00000
   54    56    65    70.00000  124.00000
   54    79    75    60.00000  120.94000
   54    79    80    40.00000  115.04500
   54    79    83    80.00000  116.47100
   54    58    59    55.00000  108.50000
   56    65    69    65.00000  118.96000
   56    65    71    75.00000  120.83300
   65    56    57    35.00000  120.00000
   65    69    70    80.00000  123.72100
   65    69    75    65.00000  118.62400
   65    71    72    45.00000  117.55000
   65    71    77    70.00000  120.89900
   69    75    76    40.00000  116.18000
   69    75    79    65.00000  117.18000
   69    75    83    80.00000  114.91000
   75    69    70    75.00000  121.36600
   75    79    80    37.50000  117.20000
   75    79    83    15.00000   60.43100
   75    83    79    15.00000   59.14900
   79    54    56    70.00000  112.02700
   79    75    76    37.50000  117.20000
   83    75    76    50.00000  114.27700
   83    75    79    15.00000   60.43100
   83    79    80    50.00000  114.27700
   71    65    69    70.00000  117.92000
   71    77    78    80.00000  122.90000
   71    77    81    80.00000  111.56200
   77    71    72    35.00000  119.80000
   77    81    82    35.00000  119.70000
   77    81    84    70.00000  118.70000
   81    77    78    80.00000  125.30000
   81    84    85    35.00000  120.00000
   81    84    86    70.00000  123.01800
   84    81    82    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    70.00000  123.01800
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    70.00000  123.01800
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   88    90    92    70.00000  123.01800
   90    88    89    35.00000  120.00000
   90    92    93    35.00000  120.00000
   90    92    94    70.00000  124.00000
   92    90    91    35.00000  120.00000
   92    94    95    35.00000  109.50000
   92    94    96    70.00000  112.02700
   92    94   108    70.00000  112.02700
   94    92    93    35.00000  117.00000
   94    96    97    37.50000  110.70000
   94    96    98    37.50000  110.70000
   94    96    99    58.35000  112.70000
   94   108   105    58.35000  112.70000
   94   108   109    37.50000  110.70000
   94   108   110    37.50000  110.70000
   96    94    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   108   109    37.50000  110.70000
  105   108   110    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108    94    95    37.50000  110.70000
  108    94    96    58.35000  112.70000
  108   105   106    37.50000  110.70000
  108   105   107    37.50000  110.70000
  110   108   109    33.00000  107.80000
   58    54    56    90.00000  110.39200
   58    54    79    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    49    70.00000  116.60000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    49    50    35.00000  119.80000
   45    49    53    70.00000  120.89900
   49    45    46    80.00000  122.90000
   49    53    55    75.00000  120.83300
   49    53    73    70.00000  117.92000
   53    49    50    45.00000  117.55000
   53    55    60    70.00000  124.00000
   53    55    63    80.00000  121.38400
   53    73    66    65.00000  118.62400
   53    73    74    80.00000  123.72100
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    66    70.00000  112.02700
   55    63    64    70.00000  107.45700
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    73    63.00000  111.10000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    73    74    80.00000  120.40000
   68    66    67    33.00000  107.80000
   73    53    55    65.00000  118.96000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   63    55    60    90.00000  109.34000
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
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   63    55    60    61   0.00000  1.0 1.0
   63    55    60    62   0.00000  1.0 1.0
   63    55    60    66   0.09700  1.0 1.0
   63    55    60    66   0.15600 -1.0 2.0
   63    55    60    66  -0.50800  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    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    48    47    51  15.00000 -1.0 2.0
   54    52    51    47  15.00000 -1.0 2.0
   54    57    56    65   1.10000 -1.0 2.0
   69    71    65    56   1.10000 -1.0 2.0
   65    75    69    70  10.50000 -1.0 2.0
   72    77    71    65   1.00000 -1.0 2.0
   71    81    77    78  10.50000 -1.0 2.0
   77    82    81    84  15.00000 -1.0 2.0
   86    85    84    81  15.00000 -1.0 2.0
   84    87    86    88  15.00000 -1.0 2.0
   90    89    88    86  15.00000 -1.0 2.0
   88    91    90    92  15.00000 -1.0 2.0
   94    93    92    90  15.00000 -1.0 2.0
   40    49    45    46  10.50000 -1.0 2.0
   50    45    49    53   1.00000 -1.0 2.0
   49    73    53    55   1.10000 -1.0 2.0
   60    63    55    53   1.10000 -1.0 2.0
   53    66    73    74  10.50000 -1.0 2.0
END
