* LIGAND DATABASE FILE (OPLS2005)
*
001     100   107    197    355     608
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107    96.06626   -58.19290
    3     1 S   H    _H1_     3     1.02066    83.72376    50.03925
    4     1 S   H    _H2_     4     1.02153    34.28213  -172.71473
    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   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C22    36     1.86998    96.65321   161.85029
   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   CT   _C23    37     1.56117   108.35249   160.02586
   38    37 S   HC   _H9_    38     1.10253   106.85848    27.66747
   39    33 S   CT   _C20    91     1.57091   109.61340   -78.73712
   40    39 S   HC   _H7_    92     1.09685   107.33978    41.57435
   41    33 S   OH   _O38    99     1.41862   104.66177    39.03164
   42    41 S   HO   _H17   100     0.97113   106.96682    57.70218
   43    37 S   CO4  _C24    39     1.52921   116.04994   -86.03694
   44    43 S   O    _O37    40     1.22544   122.62500    10.11562
   45    43 S   CA   _C8_    41     1.48413   116.35254  -173.81506
   46    45 S   CA   _C9_    42     1.39847   120.66654     7.82313
   47    46 S   CA   _C10    43     1.39921   120.04110  -177.14501
   48    46 S   CO4  _C11    56     1.48434   120.65411     4.51258
   49    48 S   O    _O34    57     1.22627   120.52843  -162.03371
   50    47 S   CA   _C5_    44     1.39540   119.87877    -0.53082
   51    47 S   OH   _O33    54     1.36501   121.98052  -179.05830
   52    51 S   HO   _H14    55     0.96877   110.06477     0.02798
   53    37 S   CT   _C12    58     1.55430   113.91338   142.97073
   54    50 S   CA   _C6_    45     1.39352   120.10632    -0.06853
   55    54 S   HA   _H13    46     1.08825   119.99753  -179.85735
   56    50 S   CT   _C4_    50     1.49381   120.87523  -179.66662
   57    56 S   HC   _H10    51     1.09562   110.23562   -90.41696
   58    56 S   HC   _H11    52     1.09691   111.19734    30.12477
   59    56 S   HC   _H12    53     1.09747   111.15820   149.12084
   60    53 S   CT   _C16    59     1.57417   116.70437    74.29852
   61    60 S   HC   _H6_    60     1.09547   113.04273    97.78524
   62    53 S   CT   _C13    87     1.58151   111.95034   -45.37163
   63    62 S   HC   _H3_    88     1.09463   113.11161  -125.13489
   64    45 S   CA   _C7_    47     1.39953   119.47777  -170.10916
   65    60 S   CO4  _C17    61     1.52383   114.50026   -27.41182
   66    65 S   O    _O35    62     1.23075   121.33742   103.87110
   67    62 S   CT   _C21    89     1.51947   116.11102     4.65842
   68    67 S   HC   _H8_    90     1.09707   110.37715   170.29167
   69    60 S   CT   _C15    95     1.52553   104.30836  -142.45504
   70    69 S   HC   _H5_    96     1.09293   113.85449   164.13646
   71    64 S   OH   _O44    48     1.36363   122.90472    -1.88699
   72    71 S   HO   _H25    49     0.96952   110.15971    -0.61612
   73    65 S   CT   _C18    63     1.54008   116.88829   -78.08592
   74    73 S   HC   _H15    64     1.09503   109.25464   147.06638
   75    67 S   OH   _O36    93     1.40937   111.67661   -71.20577
   76    75 S   HO   _H16    94     0.97505   107.42580   -60.00047
   77    69 S   OH   _O43    97     1.42084   110.92738   -74.94197
   78    77 S   HO   _H24    98     0.97068   106.82483   -59.93232
   79    73 S   CO4  _C33    65     1.52534   109.77350  -100.49141
   80    79 S   O    _O42    66     1.23025   120.09387   -34.11948
   81    79 S   CA   _C27    67     1.47390   119.20820   148.19933
   82    81 S   CA   _C26    68     1.39062   121.06882    -1.04305
   83    82 S   CA   _C31    69     1.40242   119.80939   178.50302
   84    82 S   CO4  _C25    82     1.47605   121.14837    -1.64711
   85    84 S   O    _O39    83     1.22824   119.34178   162.45928
   86    83 S   CA   _C30    70     1.39433   120.28107     0.47765
   87    83 S   OH   _O40    80     1.36541   122.05034   178.85261
   88    87 S   HO   _H19    81     0.96892   110.05531     0.03426
   89    73 S   CT   _C19    84     1.54566   109.45910    27.49250
   90    86 S   CA   _C29    71     1.39175   119.90365    -0.14127
   91    90 S   HA   _H18    72     1.08804   120.08931   179.88131
   92    86 S   CT   _C32    76     1.49290   121.07195   179.65622
   93    92 S   HC   _H20    77     1.09615   110.25179   -89.76412
   94    92 S   HC   _H21    78     1.09715   111.16186    30.69371
   95    92 S   HC   _H22    79     1.09698   111.21134   149.70200
   96    89 S   CT   _C14    85     1.58482   111.33062   -46.75091
   97    96 S   HC   _H4_    86     1.09665   113.20289  -126.87716
   98    81 S   CA   _C28    73     1.40265   119.15621   177.99182
   99    98 S   OH   _O41    74     1.36476   122.99468     1.19157
  100    99 S   HO   _H23    75     0.96992   110.04553     0.02798
  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  11   5   4   3
  20   2   1   1  22   9  22   9   5   1  11   4  12  13  13  13
   3  10   3   1  16   8   3   4   2   1   1  16   8  14   7   2
  12   5   9   4   8   5   1   1  11   6   3   1   4   1  10   4
  12  12  13   7   2  10   3   1   2   8   3   4   2   1   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    53    89    67    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    48    53    60    73    84    89    96    62    67    68    39    40    75    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    64    48    49    53    60    61    65    89    96    62    63    67    39    40    69    41    42  
   43    44    45    48    53    60    62    39    41  
   40    75    76    69    41    42    43    53    62    63    65    67    68    73    74    79    82    84    85    89    96    97  
   75    41    62    67    68    73    84    89    96  
   42    43    53    67    89  
    0  
   44    45    46    47    54    64    71    48    53    60    62  
   45    46    64    53  
   46    47    50    54    55    64    71    72    51    48    49    53  
   47    50    54    64    71    56    51    52    48    49    53    60    62  
   50    54    55    64    56    57    58    59    51    52    48    49    53  
   49    53    60    61    65    96    62    63    67    69    50    51    64  
   53    60    62  
   54    55    64    71    56    57    58    59    51    52  
   52    54    56  
    0  
   60    61    65    66    73    89    96    97    62    63    67    68    75    69    70    77  
   55    64    71    72    56    57    58    59  
   64    71    56  
   57    58    59    64  
   58    59  
   59  
    0  
   61    65    66    73    74    79    89    96    97    62    63    67    69    70    77    78  
   65    66    73    96    62    69    70    77  
   63    67    68    75    76    69    70    77    65    73    84    89    96    97  
   67    68    75    69    89    96    97  
   71    72  
   66    73    74    79    80    81    84    89    96    69    70    77  
   73    74    79    89    69  
   68    75    76    69    73    84    89    96    97  
   75    76    89    96  
   70    77    78    73    84    89    96    97  
   77    78    89    96    97  
   72  
    0  
   74    79    80    81    82    98    84    85    89    96    97  
   79    80    81    84    89    96  
   76    89    96  
    0  
   78    89    96    97  
   96  
   80    81    82    83    90    98    99    84    89    96  
   81    82    98    89  
   82    83    86    90    91    98    99   100    87    84    85    89  
   83    86    90    98    99    92    87    88    84    85    89    96  
   86    90    91    98    92    93    94    95    87    88    84    85    89  
   85    89    96    97    86    87    98  
   89    96  
   90    91    98    99    92    93    94    95    87    88  
   88    90    92  
    0  
   96    97  
   91    98    99   100    92    93    94    95  
   98    99    92  
   93    94    95    98  
   94    95  
   95  
    0  
   97  
    0  
   99   100  
  100  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   99   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  100   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   268.000  1.529
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    53   268.000  1.529
   43    44   570.000  1.229
   43    45   310.000  1.470
   45    46   469.000  1.400
   45    64   469.000  1.400
   46    47   469.000  1.400
   46    48   310.000  1.470
   47    50   469.000  1.400
   47    51   450.000  1.364
   50    54   469.000  1.400
   50    56   317.000  1.510
   54    55   367.000  1.080
   54    64   469.000  1.400
   64    71   450.000  1.364
   71    72   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   51    52   553.000  0.945
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    60   268.000  1.529
   53    62   268.000  1.529
   60    61   340.000  1.090
   60    65   317.000  1.522
   60    69   268.000  1.529
   65    66   570.000  1.229
   65    73   317.000  1.522
   73    74   340.000  1.090
   73    79   317.000  1.522
   73    89   268.000  1.529
   79    80   570.000  1.229
   79    81   310.000  1.470
   81    82   469.000  1.400
   81    98   469.000  1.400
   82    83   469.000  1.400
   82    84   310.000  1.470
   83    86   469.000  1.400
   83    87   450.000  1.364
   86    90   469.000  1.400
   86    92   317.000  1.510
   90    91   367.000  1.080
   90    98   469.000  1.400
   98    99   450.000  1.364
   99   100   553.000  0.945
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   87    88   553.000  0.945
   84    85   570.000  1.229
   84    89   317.000  1.522
   89    96   268.000  1.529
   89    39   268.000  1.529
   96    97   340.000  1.090
   96    62   268.000  1.529
   96    69   268.000  1.529
   62    63   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   67    75   320.000  1.410
   39    40   340.000  1.090
   75    76   553.000  0.945
   69    70   340.000  1.090
   69    77   320.000  1.410
   77    78   553.000  0.945
   41    42   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    53    58.35000  112.70000
   33    39    89    58.35000  112.70000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    41    42    55.00000  108.50000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  115.47100
   37    53    48    63.00000  111.10000
   37    53    60    58.35000  112.70000
   37    53    62    58.35000  112.70000
   43    37    38    35.00000  109.50000
   43    45    46    60.00000  119.52600
   43    45    64    60.00000  119.52600
   45    43    44    75.00000  123.78400
   45    46    47    63.00000  120.00000
   45    46    48    60.00000  119.52600
   45    64    54    63.00000  120.00000
   45    64    71    70.00000  120.00000
   46    47    50    63.00000  120.00000
   46    47    51    70.00000  120.00000
   46    48    49    75.00000  123.78400
   46    48    53    65.00000  115.47100
   47    50    54    63.00000  120.00000
   47    50    56    70.00000  120.00000
   47    51    52    35.00000  113.00000
   50    54    55    35.00000  120.00000
   50    54    64    63.00000  120.00000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    35.00000  109.50000
   54    64    71    70.00000  120.00000
   64    45    46    63.00000  120.00000
   64    54    55    35.00000  120.00000
   64    71    72    35.00000  113.00000
   56    50    54    70.00000  120.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   51    47    50    70.00000  120.00000
   48    46    47    60.00000  119.52600
   48    53    60    63.00000  111.10000
   48    53    62    63.00000  111.10000
   53    37    38    37.50000  110.70000
   53    37    43    63.00000  111.10000
   53    48    49    80.00000  120.40000
   53    60    61    37.50000  110.70000
   53    60    65    63.00000  111.10000
   53    60    69    58.35000  112.70000
   53    62    96    58.35000  112.70000
   53    62    63    37.50000  110.70000
   53    62    67    58.35000  112.70000
   60    65    66    80.00000  120.40000
   60    65    73    70.00000  116.00000
   60    69    96    58.35000  112.70000
   60    69    70    37.50000  110.70000
   60    69    77    50.00000  109.50000
   65    60    61    35.00000  109.50000
   65    73    74    35.00000  109.50000
   65    73    79    75.00000  107.99600
   65    73    89    63.00000  111.10000
   73    65    66    80.00000  120.40000
   73    79    80    80.00000  120.40000
   73    79    81    65.00000  115.47100
   73    89    84    63.00000  111.10000
   73    89    96    58.35000  112.70000
   73    89    39    58.35000  112.70000
   79    73    74    35.00000  109.50000
   79    81    82    60.00000  119.52600
   79    81    98    60.00000  119.52600
   81    79    80    75.00000  123.78400
   81    82    83    63.00000  120.00000
   81    82    84    60.00000  119.52600
   81    98    90    63.00000  120.00000
   81    98    99    70.00000  120.00000
   82    83    86    63.00000  120.00000
   82    83    87    70.00000  120.00000
   82    84    85    75.00000  123.78400
   82    84    89    65.00000  115.47100
   83    86    90    63.00000  120.00000
   83    86    92    70.00000  120.00000
   83    87    88    35.00000  113.00000
   86    90    91    35.00000  120.00000
   86    90    98    63.00000  120.00000
   86    92    93    35.00000  109.50000
   86    92    94    35.00000  109.50000
   86    92    95    35.00000  109.50000
   90    98    99    70.00000  120.00000
   98    81    82    63.00000  120.00000
   98    90    91    35.00000  120.00000
   98    99   100    35.00000  113.00000
   92    86    90    70.00000  120.00000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   87    83    86    70.00000  120.00000
   84    82    83    60.00000  119.52600
   84    89    96    63.00000  111.10000
   84    89    39    63.00000  111.10000
   89    73    74    37.50000  110.70000
   89    73    79    63.00000  111.10000
   89    84    85    80.00000  120.40000
   89    96    97    37.50000  110.70000
   89    96    62    58.35000  112.70000
   89    96    69    58.35000  112.70000
   89    39    67    58.35000  112.70000
   89    39    40    37.50000  110.70000
   96    62    63    37.50000  110.70000
   96    62    67    58.35000  112.70000
   96    69    70    37.50000  110.70000
   96    69    77    50.00000  109.50000
   62    53    60    58.35000  112.70000
   62    96    97    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    39    58.35000  112.70000
   62    67    75    50.00000  109.50000
   67    62    63    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    75    76    55.00000  108.50000
   39    33    37    58.35000  112.70000
   39    89    96    58.35000  112.70000
   39    67    68    37.50000  110.70000
   75    67    68    35.00000  109.50000
   75    67    39    50.00000  109.50000
   69    60    61    37.50000  110.70000
   69    60    65    63.00000  111.10000
   69    96    97    37.50000  110.70000
   69    96    62    58.35000  112.70000
   69    77    78    55.00000  108.50000
   77    69    70    35.00000  109.50000
   41    33    37    50.00000  109.50000
   41    33    39    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
   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   0.01700  1.0 1.0
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   62    53   -60    69  -0.07550 -1.0 2.0
   62    53   -60    69   0.20000  1.0 3.0
   62    96   -69    60   0.56750  1.0 1.0
   62    96   -69    60  -0.07550 -1.0 2.0
   62    96   -69    60   0.20000  1.0 3.0
   62    96    69    70   0.15000  1.0 3.0
   62    96    69    77   0.86500  1.0 1.0
   62    96    69    77  -0.17500 -1.0 2.0
   62    96    69    77   0.20800  1.0 3.0
   62    67   -39    33   0.56750  1.0 1.0
   62    67   -39    33  -0.07550 -1.0 2.0
   62    67   -39    33   0.20000  1.0 3.0
   62    67   -39    89   0.56750  1.0 1.0
   62    67   -39    89  -0.07550 -1.0 2.0
   62    67   -39    89   0.20000  1.0 3.0
   62    67    39    40   0.15000  1.0 3.0
   62    67    75    76  -0.11600  1.0 1.0
   62    67    75    76  -0.09450 -1.0 2.0
   62    67    75    76   0.21250  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    39   0.15000  1.0 3.0
   63    62    67    75   0.23400  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    89   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33   -37    53   0.56750  1.0 1.0
   39    33   -37    53  -0.07550 -1.0 2.0
   39    33   -37    53   0.20000  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    89    96    97   0.15000  1.0 3.0
   39    89   -96    62   0.56750  1.0 1.0
   39    89   -96    62  -0.07550 -1.0 2.0
   39    89   -96    62   0.20000  1.0 3.0
   39    89    96    69   0.56750  1.0 1.0
   39    89    96    69  -0.07550 -1.0 2.0
   39    89    96    69   0.20000  1.0 3.0
   39    67    75    76  -0.11600  1.0 1.0
   39    67    75    76  -0.09450 -1.0 2.0
   39    67    75    76   0.21250  1.0 3.0
   75    67    39    33   0.86500  1.0 1.0
   75    67    39    33  -0.17500 -1.0 2.0
   75    67    39    33   0.20800  1.0 3.0
   75    67    39    89   0.86500  1.0 1.0
   75    67    39    89  -0.17500 -1.0 2.0
   75    67    39    89   0.20800  1.0 3.0
   75    67    39    40   0.23400  1.0 3.0
   69    60    65    66   0.30150 -1.0 2.0
   69    60   -65    73   0.60050  1.0 1.0
   69    60   -65    73   0.05600 -1.0 2.0
   69    60   -65    73   0.26150  1.0 3.0
   69    96   -62    53   0.56750  1.0 1.0
   69    96   -62    53  -0.07550 -1.0 2.0
   69    96   -62    53   0.20000  1.0 3.0
   69    96    62    63   0.15000  1.0 3.0
   69    96    62    67   0.56750  1.0 1.0
   69    96    62    67  -0.07550 -1.0 2.0
   69    96    62    67   0.20000  1.0 3.0
   70    69    77    78   0.19450  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    43  -0.09450  1.0 1.0
   41    33    37    43  -1.12950 -1.0 2.0
   41    33    37    43   0.54000  1.0 3.0
   41    33    37    53   0.86500  1.0 1.0
   41    33    37    53  -0.17500 -1.0 2.0
   41    33    37    53   0.20800  1.0 3.0
   41    33    39    89   0.86500  1.0 1.0
   41    33    39    89  -0.17500 -1.0 2.0
   41    33    39    89   0.20800  1.0 3.0
   41    33    39    67   0.86500  1.0 1.0
   41    33    39    67  -0.17500 -1.0 2.0
   41    33    39    67   0.20800  1.0 3.0
   41    33    39    40   0.23400  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
   37    45    43    44  10.50000 -1.0 2.0
   46    64    45    43   4.00000 -1.0 2.0
   47    48    46    45   4.00000 -1.0 2.0
   50    51    47    46   4.00000 -1.0 2.0
   54    56    50    47   4.00000 -1.0 2.0
   64    55    54    50   1.10000 -1.0 2.0
   54    71    64    45   4.00000 -1.0 2.0
   46    53    48    49  10.50000 -1.0 2.0
   60    73    65    66  10.50000 -1.0 2.0
   73    81    79    80  10.50000 -1.0 2.0
   82    98    81    79   4.00000 -1.0 2.0
   83    84    82    81   4.00000 -1.0 2.0
   86    87    83    82   4.00000 -1.0 2.0
   90    92    86    83   4.00000 -1.0 2.0
   98    91    90    86   1.10000 -1.0 2.0
   90    99    98    81   4.00000 -1.0 2.0
   82    89    84    85  10.50000 -1.0 2.0
END
