* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    206    341     623
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107   104.30803   -35.17755
    3     1 S   H    _H1_     3     1.02068    68.90738    69.71098
    4     1 S   H    _H2_     4     1.02085    44.12770  -137.36546
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C18    36     1.83729    97.23987   161.83982
   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   _C19    37     1.51681   109.27325   -79.97917
   38    33 S   OH   _O38   106     1.43534   108.87570    39.14893
   39    38 S   HO   _H27   107     0.96755   106.14260  -179.17766
   40    37 S   CMA  _C20    38     1.36047   124.10248   -89.89265
   41    40 S   OM   _O36    39     1.26387   130.12562  -179.40521
   42    37 S   C    _C23    86     1.48104   117.66672    90.15529
   43    42 S   O    _O37    87     1.21973   120.33316    59.94444
   44    40 S   CT   _C21    40     1.54871   116.65768     5.56926
   45    42 S   N    _N4_    88     1.37626   112.24418  -120.06251
   46    45 S   H    _H16    89     1.01565   119.23204    -0.01978
   47    44 S   CO4  _C22    41     1.55588   116.57459  -173.17479
   48    47 S   O    _O34    42     1.23682   121.26557   -78.28927
   49    44 S   CT   _C16    64     1.55274   114.49049   -39.29101
   50    49 S   HC   _H4_    65     1.09391   108.41791   149.09535
   51    44 S   OH   _O35    84     1.45295   104.82081    77.75313
   52    51 S   HO   _H15    85     0.96646   105.88866    59.99954
   53    45 S   CT   _C24    90     1.44535   121.55791   179.97202
   54    53 S   HC   _H17    91     1.09424   108.39123   -30.00318
   55    53 S   HC   _H18    92     1.09558   108.76741    87.96357
   56    47 S   CT   _C13    43     1.52105   119.70767    98.11163
   57    56 S   HC   _H12    44     1.11758   106.20672   159.11806
   58    33 S   CT   _C17    66     1.53826   114.78487   157.37602
   59    58 S   HC   _H5_    67     1.12595   108.71215  -159.42225
   60    53 S   NT   _N5_    93     1.46748   108.88958  -150.66324
   61    56 S   CO4  _C12    45     1.52006   113.65834   -85.91268
   62    61 S   O    _O33    46     1.22897   121.64773   -33.54958
   63    58 S   NP   _N6_    68     1.49676   110.64606   -47.94274
   64    63 S   H    _H28    69     1.03096   107.08588    70.18642
   65    60 S   CT   _C25    94     1.46329   110.80308   159.13590
   66    65 S   HC   _H19    95     1.09676   111.67976    44.38502
   67    65 S   HC   _H20    96     1.09445   112.14501   -77.92761
   68    61 S   CA   _C11    47     1.48683   118.81223   149.95992
   69    63 S   CT   _C29    70     1.50404   112.16617  -173.20887
   70    69 S   HC   _H29    71     1.09158   107.80937    63.05899
   71    69 S   HC   _H30    72     1.09182   107.86116  -176.86950
   72    69 S   HC   _H31    73     1.09226   107.81179   -56.87768
   73    63 S   CT   _C30    74     1.50328   112.20002   -46.45695
   74    73 S   HC   _H32    75     1.09185   107.83981   -63.08039
   75    73 S   HC   _H33    76     1.09162   107.87967    56.93336
   76    73 S   HC   _H34    77     1.09165   107.82082   176.95111
   77    65 S   CT   _C26    97     1.52173   102.92677   162.00129
   78    77 S   HC   _H21    98     1.09448   111.51172  -146.31883
   79    77 S   HC   _H22    99     1.09629   110.84644    93.47228
   80    68 S   CA   _C6_    48     1.40524   120.86542     4.22030
   81    77 S   CT   _C27   100     1.52616   105.11693   -25.03253
   82    81 S   HC   _H23   101     1.09640   109.75389   119.06984
   83    81 S   HC   _H24   102     1.09482   111.74366  -121.36376
   84    80 S   CA   _C7_    49     1.40644   118.25763   178.35872
   85    84 S   HA   _H9_    50     1.08862   120.63374  -178.42331
   86    80 S   CT   _C5_    58     1.51863   121.05543     0.23903
   87    60 S   CT   _C28   103     1.46372   110.80430   -84.81085
   88    87 S   HC   _H25   104     1.09459   112.17465    77.77399
   89    87 S   HC   _H26   105     1.09679   111.65236   -44.48798
   90    84 S   CA   _C8_    51     1.39527   121.09178     1.21047
   91    90 S   HA   _H10    52     1.08559   119.95530   179.82641
   92    56 S   CT   _C14    59     1.52536   111.11837    43.43448
   93    92 S   HC   _H3_    60     1.08840   110.05749    63.31722
   94    86 S   CT   _C4_    78     1.53846   109.02052    94.40535
   95    94 S   HC   _H6_    79     1.08496   109.25765   179.95577
   96    94 S   HC   _H7_    80     1.08586   109.30047    60.02440
   97    94 S   HC   _H8_    81     1.08509   109.32684   -59.98697
   98    86 S   OH   _O40    82     1.43247   109.83898  -149.12998
   99    98 S   HO   _H36    83     0.96798   106.16176   180.00000
  100    90 S   CA   _C9_    53     1.38991   119.97893    -0.44675
  101   100 S   HA   _H11    54     1.08713   119.63005   179.78511
  102    92 S   CT   _C15    61     1.53667   110.22365   -53.94734
  103   102 S   HC   _H13    62     1.09183   110.55381  -176.90547
  104   102 S   HC   _H14    63     1.09209   108.68275   -60.00129
  105    68 S   CA   _C10    55     1.40294   118.61588  -176.18453
  106   105 S   OH   _O39    56     1.36468   122.59252     2.23730
  107   106 S   HO   _H35    57     0.96994   110.13141    -1.31149
  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   2   1   1  16   7   1  14   5   9   3  16   7   4  15   6
  16   8   4   1  11   4   3  14   7  15   5  12  11   4  10   8
  11   6   5  13   7   3   2   1   3   2   1   1   8   5   4  17
   5   4   3  10   4  13   2   1   1   5   3  10   5   6   3   2
   1   2   1   4   2   2   1   1   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    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    49    58    59    63    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44   102    49    50    58    59    63    64    69    73    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    47    49    58    59    63    51    42    43    45    46    53    38    39  
   39    40    42    49    58    59    63  
   58  
   41    44    47    48    56   102    49    50    58    51    52    42    43    45  
   44    47    49    51    42  
   43    45    46    53    54    55    60    44    58  
   45    46    53  
   47    48    56    57    61    92   102   103   104    49    50    58    59    63    51    52  
   46    53    54    55    60    65    87  
   53    54    55    60  
   48    56    57    61    62    68    86    92    93   102    49    50    58    51    52  
   56    57    61    92    49    51  
   50    58    59    63    64    69    73    51    52    56    86    92    93   102   103   104  
   58    59    63    51    92   102   103   104  
   52    56    58   102  
    0  
   54    55    60    65    66    67    77    81    87    88    89  
   55    60    65    87  
   60    65    87  
   57    61    62    68    80   105    86    92    93   102   103   104    94    98  
   61    62    68    86    92    93   102  
   59    63    64    69    70    71    72    73    74    75    76    92   102   103   104  
   63    64    69    73   102  
   65    66    67    77    78    79    81    82    83    87    88    89  
   62    68    80    84   100   105   106    86    92    93   102  
   68    80   105    92  
   64    69    70    71    72    73    74    75    76   102  
   69    70    71    72    73    74    75    76  
   66    67    77    78    79    81    82    83    87    88    89  
   67    77    78    79    81    87  
   77    78    79    81    87  
   80    84    85    90   100   101   105   106   107    86    92    94    98  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    81    82    83    87    88    89  
   79    81    82    83    87  
   81    82    83    87  
   84    85    90    91   100   105   106    86    92    93   102    94    95    96    97    98    99  
   82    83    87    88    89  
   83    87    88    89  
   87    88    89  
   85    90    91   100   101   105    86    92    94    98  
   90    91   100    86  
   92    93   102   103   104    94    95    96    97    98    99    90   105  
   88    89  
   89  
    0  
   91   100   101   105   106  
  100   101   105  
   93   102   103   104    94    95    96    97    98    99  
  102   103   104    94    98  
   95    96    97    98    99   102  
   96    97    98  
   97    98  
   98  
   99   102  
    0  
  101   105   106   107  
  105   106  
  103   104  
  104  
    0  
  106   107  
  107  
    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   0.432500   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    58   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   410.000  1.444
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    47   317.000  1.522
   44    49   268.000  1.529
   44    51   320.000  1.410
   47    48   570.000  1.229
   47    56   317.000  1.522
   56    57   340.000  1.090
   56    61   317.000  1.522
   56    92   268.000  1.529
   61    62   570.000  1.229
   61    68   310.000  1.470
   68    80   469.000  1.400
   68   105   469.000  1.400
   80    84   469.000  1.400
   80    86   317.000  1.510
   84    85   367.000  1.080
   84    90   469.000  1.400
   90    91   367.000  1.080
   90   100   469.000  1.400
  100   101   367.000  1.080
  100   105   469.000  1.400
  105   106   450.000  1.364
  106   107   553.000  0.945
   86    92   268.000  1.529
   86    94   268.000  1.529
   86    98   320.000  1.410
   92    93   340.000  1.090
   92   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102    49   268.000  1.529
   49    50   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    63   367.000  1.471
   63    64   434.000  1.010
   63    69   367.000  1.471
   63    73   367.000  1.471
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   553.000  0.945
   51    52   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    53   337.000  1.449
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   382.000  1.448
   60    65   382.000  1.448
   60    87   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   38    39   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    58    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    70.00000  119.70000
   33    58    49    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    63    80.00000  111.20000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   37    42    43    80.00000  125.30000
   37    42    45    80.00000  111.56200
   40    44    47    70.00000  109.06800
   40    44    49    70.00000  112.02700
   40    44    51    90.00000  110.39200
   44    40    41    85.00000  112.85300
   44    47    48    80.00000  120.40000
   44    47    56    70.00000  116.00000
   44    49   102    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    58    58.35000  112.70000
   44    51    52    55.00000  108.50000
   47    56    57    35.00000  109.50000
   47    56    61    75.00000  107.99600
   47    56    92    63.00000  111.10000
   56    47    48    80.00000  120.40000
   56    61    62    80.00000  120.40000
   56    61    68    65.00000  115.47100
   56    92    86    58.35000  112.70000
   56    92    93    37.50000  110.70000
   56    92   102    58.35000  112.70000
   61    56    57    35.00000  109.50000
   61    68    80    60.00000  119.52600
   61    68   105    60.00000  119.52600
   68    61    62    75.00000  123.78400
   68    80    84    63.00000  120.00000
   68    80    86    70.00000  120.00000
   68   105   100    63.00000  120.00000
   68   105   106    70.00000  120.00000
   80    84    85    35.00000  120.00000
   80    84    90    63.00000  120.00000
   80    86    92    70.00000  112.17500
   80    86    94    70.00000  112.17500
   80    86    98    90.00000  112.51600
   84    90    91    35.00000  120.00000
   84    90   100    63.00000  120.00000
   90    84    85    35.00000  120.00000
   90   100   101    35.00000  120.00000
   90   100   105    63.00000  120.00000
  100    90    91    35.00000  120.00000
  100   105   106    70.00000  120.00000
  105    68    80    63.00000  120.00000
  105   100   101    35.00000  120.00000
  105   106   107    35.00000  113.00000
   86    80    84    70.00000  120.00000
   86    92    93    37.50000  110.70000
   86    92   102    58.35000  112.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    37.50000  110.70000
   86    98    99    55.00000  108.50000
   92    56    57    37.50000  110.70000
   92    56    61    63.00000  111.10000
   92   102   103    37.50000  110.70000
   92   102   104    37.50000  110.70000
   92   102    49    58.35000  112.70000
  102    92    93    37.50000  110.70000
  102    49    50    37.50000  110.70000
  102    49    58    58.35000  112.70000
  104   102   103    33.00000  107.80000
   49    44    47    63.00000  111.10000
   49   102   103    37.50000  110.70000
   49   102   104    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    63    80.00000  111.20000
   58    33    37    70.00000  112.02700
   58    49    50    37.50000  110.70000
   58    63    64    35.00000  109.50000
   58    63    69    75.00000  113.01200
   58    63    73    75.00000  113.01200
   63    58    59    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    35.00000  109.50000
   63    73    74    35.00000  109.50000
   63    73    75    35.00000  109.50000
   63    73    76    35.00000  109.50000
   69    63    64    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    63    64    35.00000  109.50000
   73    63    69    75.00000  113.01200
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   94    86    92    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    86    92    50.00000  109.50000
   98    86    94    50.00000  109.50000
   51    44    47    90.00000  109.61100
   51    44    49    50.00000  109.50000
   42    37    40    60.00000  120.04000
   42    45    46    35.00000  119.80000
   42    45    53    50.00000  121.90000
   45    42    43    80.00000  122.90000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    60    80.00000  116.76000
   53    45    46    38.00000  118.40000
   53    60    65    51.80000  107.20000
   53    60    87    51.80000  107.20000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    77    56.20000  109.47000
   60    87    81    56.20000  109.47000
   60    87    88    35.00000  109.50000
   60    87    89    35.00000  109.50000
   65    77    78    37.50000  110.70000
   65    77    79    37.50000  110.70000
   65    77    81    58.35000  112.70000
   67    65    66    33.00000  107.80000
   77    65    66    37.50000  110.70000
   77    65    67    37.50000  110.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    87    58.35000  112.70000
   79    77    78    33.00000  107.80000
   81    77    78    37.50000  110.70000
   81    77    79    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   83    81    82    33.00000  107.80000
   87    60    65    51.80000  107.20000
   87    81    82    37.50000  110.70000
   87    81    83    37.50000  110.70000
   89    87    88    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    58    50.00000  109.50000
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
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   53    60    65    77   0.33350  1.0 3.0
   53    60    87    81   0.58650  1.0 1.0
   53    60    87    81   0.12600 -1.0 2.0
   53    60    87    81   0.33350  1.0 3.0
   53    60    87    88   0.28000  1.0 3.0
   53    60    87    89   0.28000  1.0 3.0
   54    53    60    65   0.28000  1.0 3.0
   54    53    60    87   0.28000  1.0 3.0
   55    53    60    65   0.28000  1.0 3.0
   55    53    60    87   0.28000  1.0 3.0
   60    65    77    78   0.15000  1.0 3.0
   60    65    77    79   0.15000  1.0 3.0
   60    65   -77    81   1.53400  1.0 1.0
   60    65   -77    81  -0.09950 -1.0 2.0
   60    65   -77    81   0.05700  1.0 3.0
   65    60   -87    81   0.23450  1.0 1.0
   65    60   -87    81   0.02050 -1.0 2.0
   65    60   -87    81   0.25250  1.0 3.0
   65    60    87    88   0.28000  1.0 3.0
   65    60    87    89   0.28000  1.0 3.0
   65    77    81    82   0.15000  1.0 3.0
   65    77    81    83   0.15000  1.0 3.0
   65    77   -81    87   0.56750  1.0 1.0
   65    77   -81    87  -0.07550 -1.0 2.0
   65    77   -81    87   0.20000  1.0 3.0
   66    65    77    78   0.15000  1.0 3.0
   66    65    77    79   0.15000  1.0 3.0
   66    65    77    81   0.15000  1.0 3.0
   67    65    77    78   0.15000  1.0 3.0
   67    65    77    79   0.15000  1.0 3.0
   67    65    77    81   0.15000  1.0 3.0
   77    81   -87    60   1.53400  1.0 1.0
   77    81   -87    60  -0.09950 -1.0 2.0
   77    81   -87    60   0.05700  1.0 3.0
   77    81    87    88   0.15000  1.0 3.0
   77    81    87    89   0.15000  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    87   0.15000  1.0 3.0
   79    77    81    82   0.15000  1.0 3.0
   79    77    81    83   0.15000  1.0 3.0
   79    77    81    87   0.15000  1.0 3.0
   82    81    87    60   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   83    81    87    60   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   87    60    65    66   0.28000  1.0 3.0
   87    60    65    67   0.28000  1.0 3.0
   87    60   -65    77   0.23450  1.0 1.0
   87    60   -65    77   0.02050 -1.0 2.0
   87    60   -65    77   0.25250  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    58    49   0.86500  1.0 1.0
   38    33    58    49  -0.17500 -1.0 2.0
   38    33    58    49   0.20800  1.0 3.0
   38    33    58    59   0.23400  1.0 3.0
   38    33    58    63   1.69300  1.0 1.0
   38    33    58    63  -0.48450 -1.0 2.0
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    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   44    56    47    48  10.50000 -1.0 2.0
   56    68    61    62  10.50000 -1.0 2.0
   80   105    68    61   4.00000 -1.0 2.0
   84    86    80    68   4.00000 -1.0 2.0
   90    85    84    80   1.10000 -1.0 2.0
  100    91    90    84   1.10000 -1.0 2.0
  105   101   100    90   1.10000 -1.0 2.0
  100   106   105    68   4.00000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
   46    42    45    53   1.00000 -1.0 2.0
END
