* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    202    329     596
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02086    38.45749   124.14647
    3     1 S   H    _H1_     3     1.02128    76.23376   -88.95693
    4     1 S   H    _H2_     4     1.02054   101.01982    17.84797
    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     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C33    36     1.84624    97.45055   161.83909
   34    33 S   HC   _H3_    37     1.09171   104.08395    35.89934
   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   CT1  _C29    38     1.54264   108.36477   -80.01070
   39    38 S   HC   _H68    39     1.11754   110.63054    38.46084
   40    38 S   CO4  _C7_    40     1.52010   115.67083   -83.35404
   41    40 S   O    _O35    41     1.22625   122.95470   179.61641
   42    38 S   N    _N33    78     1.44337   111.72380   156.30397
   43    42 S   H    _H74    79     1.01593   117.04943    89.67119
   44    40 S   C3T  _C30    42     1.47581   117.43484    -2.23379
   45    44 S   HC   _H69    43     1.07923   116.63210   130.75127
   46    42 S   C    _C21    80     1.38413   123.09500   -90.60584
   47    46 S   O    _O37    81     1.22652   125.72672     0.02798
   48    44 S   C3T  _C32    44     1.50609   120.67202   -22.07988
   49    48 S   HC   _H71    45     1.07341   119.30856   153.71443
   50    46 S   CM   _C15    82     1.49042   111.79239  -179.98022
   51    50 S   HC   _H49    83     1.08542   118.45323     0.09279
   52    33 S   CT   _C34    46     1.56001   112.50754   154.30482
   53    44 S   O3T  _O38    77     1.43379   113.20559   -87.92072
   54    50 S   CM   _C13    84     1.33971   120.19048   180.00000
   55    54 S   HC   _H47    85     1.08734   120.58988     0.00000
   56    52 S   CM   _C19    47     1.50637   112.12551   -60.02934
   57    56 S   HC   _H53    48     1.08743   116.06398   124.50467
   58    52 S   OH   _O40    75     1.43608   108.57911  -175.63081
   59    58 S   HO   _H76    76     0.96718   106.03868    60.12657
   60    54 S   CM   _C8_    86     1.44748   122.70407  -179.92867
   61    60 S   HC   _H42    87     1.08833   116.97350    -0.02798
   62    56 S   CM   _C17    49     1.34131   123.62017   -55.77333
   63    62 S   HC   _H51    50     1.08690   119.61463    -1.80494
   64    60 S   CM   _C10    88     1.34173   123.06021  -179.97202
   65    64 S   HC   _H44    89     1.08765   119.96563     0.01978
   66    62 S   CM   _C11    51     1.44630   125.30998  -178.49520
   67    66 S   HC   _H45    52     1.08816   114.69459     3.07352
   68    64 S   CM   _C16    90     1.44621   122.98783   180.00000
   69    68 S   HC   _H50    91     1.08728   117.32846     0.06561
   70    66 S   CM   _C9_    53     1.34208   125.16048   179.94065
   71    70 S   HC   _H43    54     1.08737   120.11341     1.18828
   72    68 S   CM   _C18    92     1.34118   123.12744   179.97202
   73    72 S   HC   _H52    93     1.08745   120.06860    -0.02798
   74    70 S   CM   _C12    55     1.44717   122.95943  -178.52701
   75    74 S   HC   _H46    56     1.08659   116.73536     0.00000
   76    72 S   CT   _C31    94     1.49987   123.68308  -179.93147
   77    76 S   HC   _H70    95     1.08227   107.60163    -0.01978
   78    74 S   CM   _C14    57     1.33990   122.66359  -179.94405
   79    78 S   HC   _H48    58     1.08567   121.42010    -0.07402
   80    76 S   CT   _C27    96     1.53014   109.97354   118.42493
   81    80 S   HC   _H64    97     1.09008   111.10217    53.15896
   82    80 S   HC   _H65    98     1.09125   108.83032   -64.40058
   83    78 S   C    _C20    59     1.49132   120.19531  -179.97202
   84    83 S   O    _O36    60     1.22723   122.31041    -0.02798
   85    80 S   CT   _C25    99     1.52615   111.68261   176.14202
   86    85 S   HC   _H60   100     1.09598   109.71696  -175.82805
   87    85 S   HC   _H61   101     1.09503   109.57009    67.22072
   88    83 S   N    _N32    61     1.38646   111.70151   179.95577
   89    88 S   H    _H73    62     1.01696   120.12932     0.06256
   90    85 S   CT   _C24   102     1.52488   111.69248   -54.34625
   91    90 S   HC   _H58   103     1.09684   109.51537   175.93620
   92    90 S   HC   _H59   104     1.09653   109.62831   -67.06691
   93    88 S   CM   _C4_    63     1.36417   123.47044  -180.00000
   94    90 S   CT   _C26   105     1.52593   111.56769    54.54709
   95    94 S   HC   _H62   106     1.09596   109.46230    66.84224
   96    94 S   HC   _H63   107     1.09738   109.50381  -176.46942
   97    93 S   CM   _C5_    64     1.33123   129.60575    30.06368
   98    76 S   CT   _C28   108     1.52997   109.90358  -118.46585
   99    98 S   HC   _H66   109     1.09306   109.00619    64.12183
  100    98 S   HC   _H67   110     1.09240   111.05190   -53.33425
  101    97 S   CT   _C22    65     1.49340   115.31254   179.93439
  102   101 S   HC   _H54    66     1.09514   111.24240   119.45802
  103   101 S   HC   _H55    67     1.09422   111.28284  -119.53644
  104    97 S   OH   _O39    73     1.36838   124.98605    -0.03426
  105   104 S   HO   _H75    74     0.96628   110.48713   180.00000
  106   101 S   CT   _C23    68     1.52960   104.15614     0.00000
  107   106 S   HC   _H56    69     1.09367   111.42891  -118.13119
  108   106 S   HC   _H57    70     1.09348   111.42341   118.12321
  109    93 S   CO4  _C6_    71     1.46991   124.18097  -150.00303
  110   109 S   O    _O34    72     1.22170   124.15519     0.08847
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   7  10   5   8   3   7   4   6   3   8
   4   6   3   8   2   6   3   8   4   2   1   6   3   6   3   6
   3   6   3   7   3   6   3  11   4   6   3  14   8   6   3  12
   6   5   6   3   9   5   4   8   3   8   5   4  11   5   4   3
  10   2   1   1   9   6   5   3   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    56    57    62    58    59    53    42    43    46  
   38    39    40    48    52    56    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    56    58    53    42    43    46    47    50  
   40    41    44    52    42    43    46  
   41    44    45    48    49    52    53    42    43    46  
   44    45    48    53    42  
   43    46    47    50    51    54    44    52  
   46    47    50  
   45    48    49    52    56    58    53  
   48    49    52    53  
   47    50    51    54    55    60  
   50    51    54  
   49    52    56    57    62    58    59    53  
   52    56    58    53  
   51    54    55    60    61    64  
   54    55    60  
   56    57    62    63    66    58    59    53  
   56    58  
   55    60    61    64    65    68  
   60    61    64  
   57    62    63    66    67    70    58    59  
   62    63    66    58  
   59    62  
    0  
   61    64    65    68    69    72  
   64    65    68  
   63    66    67    70    71    74  
   66    67    70  
   65    68    69    72    73    76  
   68    69    72  
   67    70    71    74    75    78  
   70    71    74  
   69    72    73    76    77    80    98  
   72    73    76  
   71    74    75    78    79    83  
   74    75    78  
   73    76    77    80    81    82    85    94    98    99   100  
   76    77    80    98  
   75    78    79    83    84    88  
   78    79    83  
   77    80    81    82    85    86    87    90    94    95    96    98    99   100  
   80    81    82    85    94    98    99   100  
   79    83    84    88    89    93  
   83    84    88  
   81    82    85    86    87    90    91    92    94    98    99   100  
   82    85    86    87    90    98  
   85    86    87    90    98  
   84    88    89    93    97   109  
   88    89    93  
   86    87    90    91    92    94    95    96    98  
   87    90    91    92    94  
   90    91    92    94  
   89    93    97   101   106   109   110   104  
   93    97   109  
   91    92    94    95    96    98    99   100  
   92    94    95    96    98  
   94    95    96    98  
   97   101   102   103   106   107   108   109   110   104   105  
   95    96    98    99   100  
   96    98    99   100  
   98    99   100  
  101   102   103   106   107   108   109   110   104   105  
   99   100  
  100  
    0  
  102   103   106   107   108   109   110   104   105  
  103   106   107   108   109   104  
  106   107   108   109   104  
  105   106   109  
    0  
  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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   89   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   94   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
  105   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
  106   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  109   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.470000   1.6780   1.4800   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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   255.000  1.522
   38    42   337.000  1.449
   40    41   570.000  1.229
   40    44   290.000  1.496
   44    45   340.000  1.088
   44    48   260.000  1.509
   44    53   335.000  1.432
   48    49   340.000  1.088
   48    52   275.000  1.510
   48    53   335.000  1.432
   52    56   317.000  1.510
   52    58   320.000  1.410
   56    57   340.000  1.080
   56    62   549.000  1.340
   62    63   340.000  1.080
   62    66   380.000  1.444
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   340.000  1.080
   70    74   380.000  1.444
   74    75   340.000  1.080
   74    78   549.000  1.340
   78    79   340.000  1.080
   78    83   410.000  1.444
   83    84   570.000  1.229
   83    88   490.000  1.335
   88    89   434.000  1.010
   88    93   400.000  1.384
   93    97   549.000  1.340
   93   109   320.000  1.462
   97   101   317.000  1.510
   97   104   510.000  1.338
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   317.000  1.522
  109   110   570.000  1.229
  104   105   553.000  0.945
   58    59   553.000  0.945
   42    43   434.000  1.010
   42    46   490.000  1.335
   46    47   570.000  1.229
   46    50   410.000  1.444
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    60   380.000  1.444
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    65   340.000  1.080
   64    68   380.000  1.444
   68    69   340.000  1.080
   68    72   549.000  1.340
   72    73   340.000  1.080
   72    76   317.000  1.510
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    98   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    98   268.000  1.529
   98    99   340.000  1.090
   98   100   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  108.68000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  110.61500
   33    38    42    80.00000  109.70000
   33    52    48    70.00000  112.37300
   33    52    56    70.00000  112.02700
   33    52    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    75.00000  123.42600
   38    40    44    65.00000  117.09000
   38    42    43    38.00000  118.40000
   38    42    46    50.00000  121.90000
   40    38    39    45.00000  110.09800
   40    44    45    40.00000  116.18000
   40    44    48    65.00000  117.18000
   40    44    53    80.00000  114.91000
   44    40    41    75.00000  121.36600
   44    48    49    37.50000  117.20000
   44    48    52    60.00000  120.94000
   44    48    53    15.00000   60.43100
   44    53    48    15.00000   59.14900
   48    44    45    37.50000  117.20000
   48    52    56    70.00000  112.02700
   48    52    58    50.00000  109.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    40.00000  115.04500
   52    56    57    35.00000  117.00000
   52    56    62    70.00000  124.00000
   52    58    59    55.00000  108.50000
   56    62    63    35.00000  120.00000
   56    62    66    70.00000  123.01800
   62    56    57    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    70    70.00000  123.01800
   66    62    63    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    74    70.00000  123.01800
   70    66    67    35.00000  120.00000
   70    74    75    35.00000  120.00000
   70    74    78    70.00000  123.01800
   74    70    71    35.00000  120.00000
   74    78    79    35.00000  120.00000
   74    78    83    70.00000  118.70000
   78    74    75    35.00000  120.00000
   78    83    84    80.00000  125.30000
   78    83    88    80.00000  111.56200
   83    78    79    35.00000  119.70000
   83    88    89    35.00000  119.80000
   83    88    93    70.00000  120.89900
   88    83    84    80.00000  122.90000
   88    93    97    75.00000  120.83300
   88    93   109    70.00000  117.92000
   93    88    89    45.00000  117.55000
   93    97   101    70.00000  124.00000
   93    97   104    80.00000  121.38400
   93   109   106    65.00000  118.62400
   93   109   110    80.00000  123.72100
   97   101   102    35.00000  109.50000
   97   101   103    35.00000  109.50000
   97   101   106    70.00000  112.02700
   97   104   105    70.00000  107.45700
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    63.00000  111.10000
  103   101   102    33.00000  107.80000
  106   101   102    37.50000  110.70000
  106   101   103    37.50000  110.70000
  106   109   110    80.00000  120.40000
  108   106   107    33.00000  107.80000
  109    93    97    65.00000  118.96000
  109   106   107    35.00000  109.50000
  109   106   108    35.00000  109.50000
  104    97   101    90.00000  109.34000
   58    52    56    90.00000  110.39200
   53    44    45    50.00000  114.27700
   53    44    48    15.00000   60.43100
   53    48    49    50.00000  114.27700
   53    48    52    80.00000  116.47100
   42    38    39    35.00000  109.50000
   42    38    40    80.00000  110.29000
   42    46    47    80.00000  122.90000
   42    46    50    80.00000  111.56200
   46    42    43    35.00000  119.80000
   46    50    51    35.00000  119.70000
   46    50    54    70.00000  118.70000
   50    46    47    80.00000  125.30000
   50    54    55    35.00000  120.00000
   50    54    60    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    60    61    35.00000  120.00000
   54    60    64    70.00000  123.01800
   60    54    55    35.00000  120.00000
   60    64    65    35.00000  120.00000
   60    64    68    70.00000  123.01800
   64    60    61    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    72    70.00000  123.01800
   68    64    65    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    76    70.00000  124.00000
   72    68    69    35.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    80    70.00000  112.02700
   72    76    98    70.00000  112.02700
   76    72    73    35.00000  117.00000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    85    58.35000  112.70000
   76    98    94    58.35000  112.70000
   76    98    99    37.50000  110.70000
   76    98   100    37.50000  110.70000
   80    76    77    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    90    58.35000  112.70000
   82    80    81    33.00000  107.80000
   85    80    81    37.50000  110.70000
   85    80    82    37.50000  110.70000
   85    90    91    37.50000  110.70000
   85    90    92    37.50000  110.70000
   85    90    94    58.35000  112.70000
   87    85    86    33.00000  107.80000
   90    85    86    37.50000  110.70000
   90    85    87    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    98    58.35000  112.70000
   92    90    91    33.00000  107.80000
   94    90    91    37.50000  110.70000
   94    90    92    37.50000  110.70000
   94    98    99    37.50000  110.70000
   94    98   100    37.50000  110.70000
   96    94    95    33.00000  107.80000
   98    76    77    37.50000  110.70000
   98    76    80    58.35000  112.70000
   98    94    95    37.50000  110.70000
   98    94    96    37.50000  110.70000
  100    98    99    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
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   91    90    94    96   0.15000  1.0 3.0
   91    90    94    98   0.15000  1.0 3.0
   92    90    94    95   0.15000  1.0 3.0
   92    90    94    96   0.15000  1.0 3.0
   92    90    94    98   0.15000  1.0 3.0
   95    94    98    76   0.15000  1.0 3.0
   95    94    98    99   0.15000  1.0 3.0
   95    94    98   100   0.15000  1.0 3.0
   96    94    98    76   0.15000  1.0 3.0
   96    94    98    99   0.15000  1.0 3.0
   96    94    98   100   0.15000  1.0 3.0
   98    76    80    81   0.15000  1.0 3.0
   98    76    80    82   0.15000  1.0 3.0
   98    76   -80    85   0.56750  1.0 1.0
   98    76   -80    85  -0.07550 -1.0 2.0
   98    76   -80    85   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
   38    44    40    41  10.50000 -1.0 2.0
   52    57    56    62  15.00000 -1.0 2.0
   66    63    62    56  15.00000 -1.0 2.0
   62    67    66    70  15.00000 -1.0 2.0
   74    71    70    66  15.00000 -1.0 2.0
   70    75    74    78  15.00000 -1.0 2.0
   83    79    78    74  15.00000 -1.0 2.0
   78    88    83    84  10.50000 -1.0 2.0
   89    83    88    93   1.00000 -1.0 2.0
   88   109    93    97   1.10000 -1.0 2.0
  101   104    97    93   1.10000 -1.0 2.0
   93   106   109   110  10.50000 -1.0 2.0
   43    46    42    38   1.00000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   46    51    50    54  15.00000 -1.0 2.0
   60    55    54    50  15.00000 -1.0 2.0
   54    61    60    64  15.00000 -1.0 2.0
   68    65    64    60  15.00000 -1.0 2.0
   64    69    68    72  15.00000 -1.0 2.0
   76    73    72    68  15.00000 -1.0 2.0
END
