* LIGAND DATABASE FILE (OPLS2005)
*
001     108   113    219    365     658
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02092    32.87251   162.34078
    3     1 S   H    _H1_     3     1.02100    89.33178   -70.29521
    4     1 S   H    _H2_     4     1.02058    91.19005    38.41239
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C27    36     1.84217    97.50821   161.83858
   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   _C28    37     1.52987   111.01592   -59.97127
   38    33 S   CT   _C31   105     1.53858   107.82239   178.50224
   39    38 S   HC   _H39   106     1.08529   109.23450   -58.31697
   40    38 S   HC   _H40   107     1.08430   109.30079  -178.34767
   41    38 S   HC   _H41   108     1.08485   109.25632    61.59741
   42    37 S   CM   _C29    38     1.35326   120.97975   128.99905
   43    37 S   CT   _C30   100     1.51382   118.10776   -52.26135
   44    43 S   HC   _H36   101     1.08406   109.39929   151.25273
   45    43 S   HC   _H37   102     1.08373   108.74071    30.98585
   46    42 S   OS   _O36    39     1.38049   124.32504     2.09956
   47    42 S   OH   _O37    98     1.38179   120.19249  -177.69709
   48    47 S   HO   _H35    99     0.96149   109.72331   180.00000
   49    43 S   OH   _O38   103     1.41102   109.20500   -88.42375
   50    49 S   HO   _H38   104     0.97332   107.40758   180.00000
   51    46 S   CT   _C25    40     1.43098   115.59543    17.71412
   52    51 S   HC   _H10    41     1.09649   108.60111    72.76896
   53    33 S   CT   _C26    42     1.54471   106.40960    60.21250
   54    53 S   HC   _H33    43     1.09769   111.11197    75.55133
   55    53 S   HC   _H34    44     1.09953   110.18406   -43.14840
   56    51 S   CT   _C5_    45     1.52436   107.44427  -170.24349
   57    56 S   HC   _H3_    46     1.09820   108.14095   -59.48967
   58    56 S   CT   _C6_    47     1.52249   110.77241  -178.31984
   59    58 S   HC   _H4_    48     1.10059   107.05968   -79.67726
   60    56 S   CT   _C4_    94     1.52868   110.38899    58.65187
   61    60 S   HC   _H11    95     1.09465   111.27003    61.90725
   62    60 S   HC   _H12    96     1.09492   110.94659   -58.44150
   63    60 S   HC   _H13    97     1.09563   110.64801  -177.96895
   64    58 S   CT   _C7_    49     1.54645   112.89942    38.54884
   65    64 S   HC   _H14    50     1.09594   112.12882    28.85146
   66    64 S   HC   _H15    51     1.09594   110.34013   -90.67707
   67    64 S   CT   _C8_    52     1.53941   106.24863   148.89539
   68    67 S   HC   _H16    53     1.09519   111.12866   128.42674
   69    67 S   HC   _H17    54     1.09585   110.46312  -112.14483
   70    67 S   CT   _C9_    55     1.52726   104.13439     7.65589
   71    70 S   HC   _H5_    56     1.10318   105.71005    78.98218
   72    70 S   CT   _C14    57     1.53582   119.09066  -161.73385
   73    72 S   HC   _H7_    58     1.09563   109.69183    62.06512
   74    72 S   CT   _C15    59     1.53101   109.83467   -57.14012
   75    74 S   HC   _H22    60     1.09721   110.28197   -54.03674
   76    74 S   HC   _H23    61     1.09602   110.00376    63.56855
   77    72 S   CT   _C13    74     1.56232   109.48132  -178.34507
   78    77 S   HC   _H6_    75     1.10211   105.49313    63.23041
   79    74 S   C3T  _C16    62     1.48155   112.53141  -175.36650
   80    79 S   HC   _H8_    63     1.08081   112.74759  -179.18699
   81    77 S   CT   _C12    76     1.56345   110.54313   -50.66565
   82    81 S   HC   _H20    77     1.09409   110.00337   -71.75539
   83    81 S   HC   _H21    78     1.09286   110.55389   171.58501
   84    79 S   C3T  _C17    64     1.51435   121.77797    27.67392
   85    81 S   CT   _C11    79     1.53753   114.25304    50.10945
   86    85 S   HC   _H18    80     1.09830   108.63098    67.27493
   87    85 S   HC   _H19    81     1.09621   109.50938  -176.89316
   88    84 S   CT   _C22    65     1.51493   117.14859   158.61247
   89    88 S   HC   _H9_    66     1.09662   109.62314   -12.79233
   90    58 S   CT   _C10    82     1.54761   116.58004   158.38315
   91    79 S   O3T  _O35    93     1.42295   114.80615   -40.05194
   92    88 S   CM   _C21    67     1.48967   115.67783  -134.16105
   93    92 S   HC   _H25    68     1.08723   117.31017   172.25278
   94    90 S   CT   _C24    83     1.54883   111.06287   -46.42720
   95    94 S   HC   _H30    84     1.08181   108.73988   -51.77563
   96    94 S   HC   _H31    85     1.08138   108.72099  -171.82096
   97    94 S   HC   _H32    86     1.08221   108.70296    68.21315
   98    88 S   OH   _O34    91     1.42991   110.03071   104.40235
   99    98 S   HO   _H26    92     0.96849   106.23634  -173.54946
  100    92 S   CM   _C20    69     1.33251   124.08785    -6.35048
  101   100 S   HC   _H24    70     1.08393   120.84893   178.10793
  102   100 S   CO4  _C19    71     1.48094   121.38203    -1.98189
  103   102 S   O    _O33    72     1.23247   116.81573   173.20788
  104    84 S   CT   _C18    73     1.54091   121.14020    -2.23835
  105   104 S   CT   _C23    87     1.54459   108.57538  -119.96910
  106   105 S   HC   _H27    88     1.08235   108.94149    61.69153
  107   105 S   HC   _H28    89     1.08333   108.93946   -58.25541
  108   105 S   HC   _H29    90     1.08266   108.96403  -178.22811
  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
  18   2   1   1  17   9   3   2   1  11   7   3   2  11   2   1
   1   1  14   7   6   2   1  15   8  23   9   5   2   1   1  11
   6   5  11   5   4  19   7  19   9  12   6   5  20   8  10   4
  11   6   5  15   8   3   2  11   7   4   5   8   4   3   2   1
   1   3   1   5   3   6   2   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    53    54    55    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    51    52    53    54    55    56    47    43    44    45    49    38    39    40    41  
   35    36  
   36  
    0  
   42    46    51    53    54    55    47    48    43    44    45    49    50    38    39    40    41  
   39    40    41    42    43    51    53    54    55  
   40    41    53  
   41    53  
   53  
   46    51    52    53    56    47    48    43    44    45    49  
   44    45    49    50    46    47    53  
   45    49    50  
   49    50  
   51    52    53    54    55    56    57    58    60    47    48  
   48    51  
    0  
   50  
    0  
   52    53    54    55    56    57    58    59    64    90    60    61    62    63  
   53    54    55    56    57    58    60  
   54    55    56    57    58    60  
   55    56  
   56  
   57    58    59    64    65    66    67    70    85    90    94    60    61    62    63  
   58    59    64    90    60    61    62    63  
   59    64    65    66    67    68    69    70    71    72    81    85    86    87    90    94    95    96    97    60    61    62    63  
   64    65    66    67    70    85    90    94    60  
   61    62    63    64    90  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    85    90    94  
   66    67    68    69    70    90  
   67    68    69    70    90  
   68    69    70    71    72    73    74    77    85    90    94  
   69    70    71    72    90  
   70    71    72    90  
   71    72    73    74    75    76    79   104    77    78    81    85    86    87    90    94    95    96    97  
   72    73    74    77    85    90    94  
   73    74    75    76    79    80    84   102   104    77    78    81    82    83    85    90    94   105    91  
   74    75    76    79   104    77    78    81    90  
   75    76    79    80    84    88   104    77    78    81    90    91  
   76    79    80    84    77    91  
   79    80    84    77    91  
   78    81    82    83    85    86    87    90   105   106   107   108    91    79    84    88   100   102   103   104  
   81    82    83    85   105    84   102   104  
   80    84    88    89    92   102   104   105    98    91  
   84    88   104    91  
   82    83    85    86    87    90    94   105    84   102   104  
   83    85    86    87    90   104  
   85    86    87    90   104  
   88    89    92    93   100   102   103   104   105   106   107   108    98    99    91  
   86    87    90    94    95    96    97   104  
   87    90    94  
   90    94  
   89    92    93   100   101   102   104   105    98    99    91  
   92    93   100   104    98    99    91  
   94    95    96    97  
   92    98   102   104   105  
   93   100   101   102   103   104    98    99  
  100   101   102    98  
   95    96    97  
   96    97  
   97  
    0  
   99   100   104  
    0  
  101   102   103   104   105  
  102   103   104  
  103   104   105   106   107   108  
  104   105  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  105   3.5000   0.0660  -0.180000   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   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    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    53   268.000  1.529
   33    38   268.000  1.529
   37    42   549.000  1.340
   37    43   317.000  1.510
   42    46   440.000  1.360
   42    47   510.000  1.338
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    90   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    90   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   275.000  1.510
   79    80   340.000  1.088
   79    84   260.000  1.509
   79    91   335.000  1.432
   84    88   275.000  1.510
   84   104   275.000  1.510
   84    91   335.000  1.432
   88    89   340.000  1.090
   88    92   317.000  1.510
   88    98   320.000  1.410
   92    93   340.000  1.080
   92   100   549.000  1.340
  100   101   340.000  1.080
  100   102   320.000  1.462
  102   103   570.000  1.229
  102   104   317.000  1.522
  104    77   268.000  1.529
  104   105   268.000  1.529
   77    78   340.000  1.090
   77    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   268.000  1.529
   90    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   98    99   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   47    48   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    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    53    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    53    51    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    80.00000  120.01400
   37    42    47    80.00000  121.38400
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    49    90.00000  110.39200
   42    46    51    90.00000  111.18400
   42    47    48    70.00000  107.45700
   46    51    52    35.00000  109.50000
   46    51    53    50.00000  109.50000
   46    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    58.35000  112.70000
   51    56    60    58.35000  112.70000
   53    33    37    70.00000  112.02700
   53    51    52    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    58    59    37.50000  110.70000
   56    58    64    58.35000  112.70000
   56    58    90    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   58    56    57    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    58.35000  112.70000
   58    90    70    58.35000  112.70000
   58    90    85    58.35000  112.70000
   58    90    94    58.35000  112.70000
   64    58    59    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    90    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    58.35000  112.70000
   70    72    77    58.35000  112.70000
   70    90    85    58.35000  112.70000
   70    90    94    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    79    70.00000  112.37300
   72    77   104    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    81    58.35000  112.70000
   74    72    73    37.50000  110.70000
   74    79    80    40.00000  115.04500
   74    79    84    60.00000  120.94000
   74    79    91    80.00000  116.47100
   76    74    75    33.00000  107.80000
   79    74    75    45.00000  109.38400
   79    74    76    45.00000  109.38400
   79    84    88    60.00000  120.94000
   79    84   104    60.00000  120.94000
   79    84    91    15.00000   60.43100
   79    91    84    15.00000   59.14900
   84    79    80    37.50000  117.20000
   84    88    89    45.00000  109.38400
   84    88    92    70.00000  112.02700
   84    88    98    50.00000  109.50000
   84   104   102    63.00000  111.10000
   84   104    77    70.00000  112.37300
   84   104   105    70.00000  112.37300
   88    92    93    35.00000  117.00000
   88    92   100    70.00000  124.00000
   88    98    99    55.00000  108.50000
   92    88    89    35.00000  109.50000
   92   100   101    35.00000  120.00000
   92   100   102    65.00000  118.96000
  100    92    93    35.00000  120.00000
  100   102   103    80.00000  123.72100
  100   102   104    65.00000  118.62400
  102   100   101    40.00000  117.72500
  102   104    77    63.00000  111.10000
  102   104   105    63.00000  111.10000
  104    84    88    58.35000  112.70000
  104   102   103    80.00000  120.40000
  104    77    78    37.50000  110.70000
  104    77    81    58.35000  112.70000
  104   105   106    37.50000  110.70000
  104   105   107    37.50000  110.70000
  104   105   108    37.50000  110.70000
   77    72    73    37.50000  110.70000
   77    72    74    58.35000  112.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    85    58.35000  112.70000
   81    77    78    37.50000  110.70000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    90    58.35000  112.70000
   83    81    82    33.00000  107.80000
   85    81    82    37.50000  110.70000
   85    81    83    37.50000  110.70000
   85    90    94    58.35000  112.70000
   87    85    86    33.00000  107.80000
   90    58    59    37.50000  110.70000
   90    58    64    58.35000  112.70000
   90    70    71    37.50000  110.70000
   90    70    72    58.35000  112.70000
   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    97    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
  105   104    77    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   98    88    89    35.00000  109.50000
   98    88    92    90.00000  110.39200
   91    79    80    50.00000  114.27700
   91    79    84    15.00000   60.43100
   91    84    88    80.00000  116.47100
   91    84   104    80.00000  116.47100
   60    56    57    37.50000  110.70000
   60    56    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   47    42    46   115.00000  116.36000
   43    37    42    70.00000  124.00000
   43    49    50    55.00000  108.50000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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
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   88    84   104   105   0.20000  1.0 3.0
   88    84   -91    79   0.06250  1.0 1.0
   88    84   -91    79  -0.01100 -1.0 2.0
   88    84   -91    79   0.28050  1.0 3.0
   88    92   100   101   7.00000 -1.0 2.0
   88    92  -100   102   7.00000 -1.0 2.0
   89    88    92    93   0.33100  1.0 3.0
   89    88    92   100   0.00000  1.0 1.0
   89    88    98    99   0.19450  1.0 3.0
   92    88    98    99  -0.07800  1.0 1.0
   92    88    98    99  -0.21500 -1.0 2.0
   92    88    98    99  -0.03150  1.0 3.0
   92   100   102   103   1.00000 -1.0 2.0
   92   100   102   104  -0.33500  1.0 1.0
   92   100   102   104   1.06600 -1.0 2.0
   92   100   102   104  -0.14000  1.0 3.0
   93    92   100   101   7.00000 -1.0 2.0
   93    92   100   102   7.00000 -1.0 2.0
  100   102  -104    84   0.65300  1.0 1.0
  100   102  -104    84  -0.03850 -1.0 2.0
  100   102  -104    84   0.33900  1.0 3.0
  100   102   104    77   0.65300  1.0 1.0
  100   102   104    77  -0.03850 -1.0 2.0
  100   102   104    77   0.33900  1.0 3.0
  100   102   104   105   0.65300  1.0 1.0
  100   102   104   105  -0.03850 -1.0 2.0
  100   102   104   105   0.33900  1.0 3.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   104   0.04550  1.0 1.0
  101   100   102   104   0.83000 -1.0 2.0
  101   100   102   104  -0.04000  1.0 3.0
  102   104    77    72  -0.95700  1.0 1.0
  102   104    77    72  -0.18200 -1.0 2.0
  102   104    77    72   0.29450  1.0 3.0
  102   104    77    78  -0.11250  1.0 3.0
  102   104    77    81  -0.95700  1.0 1.0
  102   104    77    81  -0.18200 -1.0 2.0
  102   104    77    81   0.29450  1.0 3.0
  102   104   105   106  -0.11250  1.0 3.0
  102   104   105   107  -0.11250  1.0 3.0
  102   104   105   108  -0.11250  1.0 3.0
  103   102   104    84   0.30150 -1.0 2.0
  103   102   104    77   0.30150 -1.0 2.0
  103   102   104   105   0.30150 -1.0 2.0
  104    84    88    89   0.15000  1.0 3.0
  104    84   -88    92   0.34400  1.0 1.0
  104    84   -88    92   0.09450 -1.0 2.0
  104    84   -88    92   0.11100  1.0 3.0
  104    84    88    98   0.86500  1.0 1.0
  104    84    88    98  -0.17500 -1.0 2.0
  104    84    88    98   0.20800  1.0 3.0
  104    84   -91    79   0.06250  1.0 1.0
  104    84   -91    79  -0.01100 -1.0 2.0
  104    84   -91    79   0.28050  1.0 3.0
  104    77    81    82   0.15000  1.0 3.0
  104    77    81    83   0.15000  1.0 3.0
  104    77    81    85   0.56750  1.0 1.0
  104    77    81    85  -0.07550 -1.0 2.0
  104    77    81    85   0.20000  1.0 3.0
   77    72    74    75   0.15000  1.0 3.0
   77    72    74    76   0.15000  1.0 3.0
   77    72   -74    79   0.47050  1.0 1.0
   77    72   -74    79   0.03900 -1.0 2.0
   77    72   -74    79   0.20100  1.0 3.0
   77   104   105   106   0.15000  1.0 3.0
   77   104   105   107   0.15000  1.0 3.0
   77   104   105   108   0.15000  1.0 3.0
   77    81    85    86   0.15000  1.0 3.0
   77    81    85    87   0.15000  1.0 3.0
   77    81    85    90   0.56750  1.0 1.0
   77    81    85    90  -0.07550 -1.0 2.0
   77    81    85    90   0.20000  1.0 3.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    83   0.15000  1.0 3.0
   78    77    81    85   0.15000  1.0 3.0
   81    85    90    58   0.56750  1.0 1.0
   81    85    90    58  -0.07550 -1.0 2.0
   81    85    90    58   0.20000  1.0 3.0
   81    85   -90    70   0.56750  1.0 1.0
   81    85   -90    70  -0.07550 -1.0 2.0
   81    85   -90    70   0.20000  1.0 3.0
   81    85    90    94   0.56750  1.0 1.0
   81    85    90    94  -0.07550 -1.0 2.0
   81    85    90    94   0.20000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    87   0.15000  1.0 3.0
   82    81    85    90   0.15000  1.0 3.0
   83    81    85    86   0.15000  1.0 3.0
   83    81    85    87   0.15000  1.0 3.0
   83    81    85    90   0.15000  1.0 3.0
   85    90    94    95   0.15000  1.0 3.0
   85    90    94    96   0.15000  1.0 3.0
   85    90    94    97   0.15000  1.0 3.0
   86    85    90    58   0.15000  1.0 3.0
   86    85    90    70   0.15000  1.0 3.0
   86    85    90    94   0.15000  1.0 3.0
   87    85    90    58   0.15000  1.0 3.0
   87    85    90    70   0.15000  1.0 3.0
   87    85    90    94   0.15000  1.0 3.0
   90    58    64    65   0.15000  1.0 3.0
   90    58    64    66   0.15000  1.0 3.0
   90    58   -64    67   0.56750  1.0 1.0
   90    58   -64    67  -0.07550 -1.0 2.0
   90    58   -64    67   0.20000  1.0 3.0
   90    70    72    73   0.15000  1.0 3.0
   90    70    72    74   0.56750  1.0 1.0
   90    70    72    74  -0.07550 -1.0 2.0
   90    70    72    74   0.20000  1.0 3.0
   90    70   -72    77   0.56750  1.0 1.0
   90    70   -72    77  -0.07550 -1.0 2.0
   90    70   -72    77   0.20000  1.0 3.0
  105   104    77    72   0.56750  1.0 1.0
  105   104    77    72  -0.07550 -1.0 2.0
  105   104    77    72   0.20000  1.0 3.0
  105   104    77    78   0.15000  1.0 3.0
  105   104    77    81   0.56750  1.0 1.0
  105   104    77    81  -0.07550 -1.0 2.0
  105   104    77    81   0.20000  1.0 3.0
   98    88    92    93   0.00000  1.0 1.0
   98    88    92   100   0.67800  1.0 1.0
   98    88    92   100   0.47050 -1.0 2.0
   98    88    92   100  -0.62500  1.0 3.0
   91    79   -84    88   0.02550  1.0 1.0
   91    79   -84    88  -0.02600 -1.0 2.0
   91    79   -84    88   1.20400  1.0 3.0
   91    79   -84   104   0.02550  1.0 1.0
   91    79   -84   104  -0.02600 -1.0 2.0
   91    79   -84   104   1.20400  1.0 3.0
   91    84    88    89   0.23400  1.0 3.0
   91    84    88    92   0.61850  1.0 1.0
   91    84    88    92  -0.22750 -1.0 2.0
   91    84    88    92   0.15300  1.0 3.0
   91    84    88    98   3.69350  1.0 1.0
   91    84    88    98  -1.82950 -1.0 2.0
   91    84   104   102  -0.09450  1.0 1.0
   91    84   104   102  -1.12950 -1.0 2.0
   91    84   104   102   0.54000  1.0 3.0
   91    84   104    77   0.02550  1.0 1.0
   91    84   104    77  -0.02600 -1.0 2.0
   91    84   104    77   1.20400  1.0 3.0
   91    84   104   105   0.02550  1.0 1.0
   91    84   104   105  -0.02600 -1.0 2.0
   91    84   104   105   1.20400  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    64   0.56750  1.0 1.0
   60    56    58    64  -0.07550 -1.0 2.0
   60    56    58    64   0.20000  1.0 3.0
   60    56    58    90   0.56750  1.0 1.0
   60    56    58    90  -0.07550 -1.0 2.0
   60    56    58    90   0.20000  1.0 3.0
   47    42    46    51   2.00000 -1.0 2.0
   43    37    42    46   7.00000 -1.0 2.0
   43    37    42    47   7.00000 -1.0 2.0
   44    43    49    50   0.19450  1.0 3.0
   45    43    49    50   0.19450  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    53    51   0.56750  1.0 1.0
   38    33    53    51  -0.07550 -1.0 2.0
   38    33    53    51   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  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    43    37    42   1.10000 -1.0 2.0
   46    47    42    37   1.10000 -1.0 2.0
   88    93    92   100   1.10000 -1.0 2.0
  102   101   100    92   1.10000 -1.0 2.0
  100   104   102   103  10.50000 -1.0 2.0
END
