* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    195    318     590
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02043   106.60505   -14.95613
    3     1 S   H    _H1_     3     1.02123    56.42951    86.80450
    4     1 S   H    _H2_     4     1.02125    55.67539  -116.50835
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.67486    58.63995
   26    24 S   HC   HB22    34     1.08556   110.06595   179.19061
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C19    36     1.89776    95.75816   161.87231
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C24    37     1.52546   101.36510   -59.97548
   38    37 S   HC   _H22    38     1.08610   119.42417    90.05130
   39    33 S   CT   _C18    52     1.53963   107.05866    59.41538
   40    39 S   HC   _H18    53     1.09853   110.94953   -53.78031
   41    39 S   HC   _H19    54     1.09712   110.24387  -169.59792
   42    37 S   CM   _C23    39     1.34651   119.83864   -88.04570
   43    42 S   CM   _C22    40     1.45428   120.69794    -0.11535
   44    43 S   HC   _H21    41     1.08394   118.61562   161.83653
   45    42 S   OH   _O36   100     1.37338   124.03479   177.58265
   46    45 S   HO   _H23   101     0.96526   110.10623     2.15840
   47    43 S   CM   _C21    42     1.34611   120.69216   -18.64903
   48    47 S   HC   _H20    43     1.08488   118.97155  -178.02712
   49    33 S   CT   _C20    44     1.59974   115.38745  -178.80335
   50    49 S   CT   _C15    45     1.58261   109.82558   -60.90773
   51    50 S   F    F1__    46     1.37914   106.93714    58.99853
   52    49 S   CT   _C25    96     1.56835   110.27408   177.60845
   53    52 S   HC   _H24    97     1.07573   107.74475    64.73826
   54    52 S   HC   _H25    98     1.07552   107.74273   -55.17254
   55    52 S   HC   _H26    99     1.07583   107.80924  -175.19458
   56    50 S   CT   _C16    47     1.56989   110.57703   -56.48306
   57    56 S   HC   _H6_    48     1.09347   109.42218   -67.49227
   58    50 S   CT   _C14    67     1.55782   116.96696   173.80888
   59    58 S   HC   _H5_    68     1.09532   108.71221   -63.52677
   60    56 S   CT   _C17    49     1.54200   113.22848    50.76900
   61    60 S   HC   _H16    50     1.09807   109.16214  -169.02659
   62    60 S   HC   _H17    51     1.09515   109.95852    75.81675
   63    56 S   CT   _C11    55     1.53655   108.60591   174.41654
   64    63 S   HC   _H4_    56     1.10195   106.14360   -58.36239
   65    58 S   OH   _O37    69     1.41799   112.17444    54.29324
   66    65 S   HO   _H27    70     0.97120   106.99416  -173.82667
   67    63 S   CT   _C10    57     1.53034   119.03740  -176.91041
   68    67 S   HC   _H12    58     1.09569   110.44404   -42.31601
   69    67 S   HC   _H13    59     1.09518   111.74498    77.92962
   70    67 S   CT   _C9_    60     1.54436   104.09473  -160.43533
   71    70 S   HC   _H3_    61     1.09624   108.67727   126.60724
   72    70 S   CT   _C8_    62     1.55010   106.46691     5.98753
   73    70 S   OS   _O38    89     1.41914   110.38731  -115.90580
   74    63 S   CT   _C12    63     1.54838   113.19171    60.68066
   75    72 S   CO4  _C7_    75     1.49860   112.95658   147.68469
   76    75 S   O    _O35    76     1.22930   121.33809   -29.94519
   77    72 S   OH   _O40    87     1.42397   110.86555   -95.13478
   78    77 S   HO   _H34    88     0.97023   106.65113    57.85839
   79    73 S   CO4  _C27    90     1.36907   115.88926   -88.30290
   80    79 S   O    _O39    91     1.22370   125.97227     0.00000
   81    74 S   CT   _C13    64     1.54265   107.61446   -60.83547
   82    81 S   HC   _H14    65     1.09712   109.92175   -65.66724
   83    81 S   HC   _H15    66     1.09707   109.43588   177.71964
   84    74 S   CT   _C26    71     1.55398   113.46863    61.60731
   85    84 S   HC   _H28    72     1.08009   108.48310    59.11883
   86    84 S   HC   _H29    73     1.08000   108.49511   -60.92458
   87    84 S   HC   _H30    74     1.08037   108.44215   179.09129
   88    75 S   CT   _C6_    77     1.51422   116.26297   150.01260
   89    88 S   HC   _H10    78     1.09366   109.78437    60.06486
   90    88 S   HC   _H11    79     1.09291   109.07189   -60.19904
   91    79 S   CT   _C28    92     1.49827   109.99043   179.94065
   92    91 S   HC   _H31    93     1.09302   109.89249   -89.94619
   93    91 S   HC   _H32    94     1.09303   109.84173   148.10810
   94    91 S   HC   _H33    95     1.09425   109.37634    29.14185
   95    88 S   OS   _O34    80     1.41245   110.67892  -179.45860
   96    95 S   CO4  _C5_    81     1.37206   116.17174   180.00000
   97    96 S   O    _O33    82     1.22298   125.65924     0.07662
   98    96 S   CT   _C4_    83     1.49801   110.24706  -180.00000
   99    98 S   HC   _H7_    84     1.09256   109.88114   -89.90946
  100    98 S   HC   _H8_    85     1.09265   109.86291   148.08027
  101    98 S   HC   _H9_    86     1.09437   109.36845    29.11361
  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  12   5   4   3
  22   2   1   1  14   5  13   6   5   7   8   4   2   1  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  12   6   5  14   6  18   9  12  10   5   4   1   5   4
   6   2   1   3   2   1   1   6   3   2   3   2   1   1   6   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    49    50    60    39    40    41    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    49    50    51    56    60    61    62    39    40    41    58    52    53    54    55    45  
   35    36  
   36  
    0  
   38    42    43    44    47    49    50    60    39    40    41    52    45    46  
   42    43    49    39    45  
   40    41    63    52    42    47    49    50    56    57    60    61    62  
   41    49    56    60    61    62  
   49    56    60    61    62  
   43    44    47    48    49    45    46  
   44    47    48    49    50    52    45    46  
   47    48    49    45  
   46    47  
    0  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    81    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    74    81    82    83    58    59    65    66    52    53    54    55  
   56    57    60    63    81    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    74    81    58    59    65    84  
   60    61    62    63    64    67    74    58  
   59    65    66    84    60    63    72    74    81    82    83  
   65    66    74    81    82    83  
   61    62    63    64    67    74  
   62    63  
   63  
   64    67    68    69    70    71    72    74    81    82    83    84    85    86    87    75    77    73  
   67    68    69    70    72    74    81    84  
   66    74    81    82    83  
   81  
   68    69    70    71    72    74    81    84    75    77    73    79  
   69    70    71    72    74    73  
   70    71    72    74    73  
   71    72    74    81    84    75    76    88    77    78    73    79    80    91  
   72    74    75    77    73    79  
   74    81    82    83    84    85    86    87    75    76    88    89    90    95    77    78    73    79  
   79    80    91    92    93    94    74    75    77  
   81    82    83    84    85    86    87    75    76    88    77    78  
   76    88    89    90    95    96    77    78    81    84  
   88    89    90    95    77  
   78    81    84    88  
    0  
   80    91    92    93    94  
   91    92    93    94  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90    95    96    97    98  
   90    95    96  
   95    96  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   380.000  1.444
   42    45   510.000  1.338
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   367.000  1.332
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    74   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    73   320.000  1.410
   72    74   268.000  1.529
   72    75   317.000  1.522
   72    77   320.000  1.410
   74    81   268.000  1.529
   74    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   75    76   570.000  1.229
   75    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   320.000  1.410
   95    96   214.000  1.327
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   77    78   553.000  0.945
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   45    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    60    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    70.00000  123.01800
   37    42    45    80.00000  121.38400
   42    37    38    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    47    70.00000  123.01800
   42    45    46    70.00000  107.45700
   43    47    48    35.00000  120.00000
   43    47    49    70.00000  124.00000
   47    43    44    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    70.00000  112.02700
   49    47    48    35.00000  117.00000
   49    50    51    50.00000  109.50000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    81    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    50.00000  109.50000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    39    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    74    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    39    40    37.50000  110.70000
   60    39    41    37.50000  110.70000
   62    60    61    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    49    58.35000  112.70000
   39    60    61    37.50000  110.70000
   39    60    62    37.50000  110.70000
   41    39    40    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    74    72    58.35000  112.70000
   63    74    81    58.35000  112.70000
   63    74    84    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    73    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    74    58.35000  112.70000
   70    72    75    63.00000  111.10000
   70    72    77    50.00000  109.50000
   70    73    79    83.00000  116.90000
   72    70    71    37.50000  110.70000
   72    74    81    58.35000  112.70000
   72    74    84    58.35000  112.70000
   72    75    76    80.00000  120.40000
   72    75    88    70.00000  116.00000
   72    77    78    55.00000  108.50000
   74    63    64    37.50000  110.70000
   74    63    67    58.35000  112.70000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    58    58.35000  112.70000
   74    84    85    37.50000  110.70000
   74    84    86    37.50000  110.70000
   74    84    87    37.50000  110.70000
   81    58    59    37.50000  110.70000
   81    58    65    50.00000  109.50000
   83    81    82    33.00000  107.80000
   58    50    51    50.00000  109.50000
   58    50    56    58.35000  112.70000
   58    81    82    37.50000  110.70000
   58    81    83    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   84    74    81    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   75    72    74    63.00000  111.10000
   75    88    89    35.00000  109.50000
   75    88    90    35.00000  109.50000
   75    88    95    90.00000  108.74100
   88    75    76    80.00000  120.40000
   88    95    96    83.00000  116.90000
   90    88    89    33.00000  107.80000
   95    88    89    35.00000  109.50000
   95    88    90    35.00000  109.50000
   95    96    97    83.00000  123.40000
   95    96    98    81.00000  111.40000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    35.00000  109.50000
   98    96    97    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   77    72    74    50.00000  109.50000
   77    72    75    90.00000  109.61100
   73    70    71    35.00000  109.50000
   73    70    72    50.00000  109.50000
   73    79    80    83.00000  123.40000
   73    79    91    81.00000  111.40000
   79    91    92    35.00000  109.50000
   79    91    93    35.00000  109.50000
   79    91    94    35.00000  109.50000
   91    79    80    80.00000  120.40000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   45    42    43    80.00000  121.38400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
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   88    95    96    97   3.00000 -1.0 2.0
   88    95    96    98   1.63150  1.0 1.0
   88    95    96    98   2.92000 -1.0 2.0
   89    88    95    96   0.08050  1.0 3.0
   90    88    95    96   0.08050  1.0 3.0
   95    96    98    99   0.00000  1.0 1.0
   95    96    98   100   0.00000  1.0 1.0
   95    96    98   101   0.00000  1.0 1.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.00000  1.0 1.0
   77    72    74    63   0.86500  1.0 1.0
   77    72    74    63  -0.17500 -1.0 2.0
   77    72    74    63   0.20800  1.0 3.0
   77    72    74    81   0.86500  1.0 1.0
   77    72    74    81  -0.17500 -1.0 2.0
   77    72    74    81   0.20800  1.0 3.0
   77    72    74    84   0.86500  1.0 1.0
   77    72    74    84  -0.17500 -1.0 2.0
   77    72    74    84   0.20800  1.0 3.0
   77    72    75    76   0.30150 -1.0 2.0
   77    72    75    88   0.55300  1.0 1.0
   77    72    75    88   1.25850 -1.0 2.0
   77    72    75    88  -0.23600  1.0 3.0
   73    70    72    74   0.62750  1.0 1.0
   73    70    72    74  -0.30950 -1.0 2.0
   73    70    72    74   0.27300  1.0 3.0
   73    70    72    75  -0.09450  1.0 1.0
   73    70    72    75  -1.12950 -1.0 2.0
   73    70    72    75   0.54000  1.0 3.0
   73    70    72    77   3.69350  1.0 1.0
   73    70    72    77  -1.82950 -1.0 2.0
   73    79    91    92   0.00000  1.0 1.0
   73    79    91    93   0.00000  1.0 1.0
   73    79    91    94   0.00000  1.0 1.0
   80    79    91    92   0.00000  1.0 1.0
   80    79    91    93   0.00000  1.0 1.0
   80    79    91    94   0.00000  1.0 1.0
   52    49    50    51   0.39650  1.0 1.0
   52    49    50    51  -0.18350 -1.0 2.0
   52    49    50    51   0.41450  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  1.0 3.0
   45    42    43    44   0.00000  1.0 1.0
   45    42    43    47   0.50950  1.0 1.0
   45    42    43    47   0.56650 -1.0 2.0
   45    42    43    47   0.34050  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   43    45    42    37   1.10000 -1.0 2.0
   42    44    43    47   1.10000 -1.0 2.0
   49    48    47    43   1.10000 -1.0 2.0
   72    88    75    76  10.50000 -1.0 2.0
   95    98    96    97  10.50000 -1.0 2.0
   73    91    79    80  10.50000 -1.0 2.0
END
