* LIGAND DATABASE FILE (OPLS2005)
*
001     100   107    195    350     600
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02100   106.61731   -11.20300
    3     1 S   H    _H1_     3     1.02115    54.19128    90.14793
    4     1 S   H    _H2_     4     1.02115    57.95254  -113.22408
    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   _C17    36     1.83951    97.60860  -178.15284
   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   _C18    37     1.53696   112.77498  -179.96044
   38    33 S   CT   _C16    89     1.56862   113.08772   -51.38331
   39    38 S   HC   _H6_    90     1.09717   107.94795    60.63151
   40    33 S   OH   _O42    99     1.44447   105.86514    64.37184
   41    40 S   HO   _H23   100     0.96373   105.47011   -59.92080
   42    37 S   CM   _C19    38     1.35375   122.47988   -56.92848
   43    42 S   CA   _C20    39     1.47331   121.46863  -179.08315
   44    42 S   OH   _O41    97     1.38116   123.55065    -1.21015
   45    44 S   HO   _H22    98     0.96172   109.80253     1.99890
   46    43 S   CA   _C25    40     1.39880   119.49899    19.41620
   47    46 S   CA   _C24    41     1.40014   121.55761   177.15903
   48    46 S   CO4  _C26    54     1.47601   118.67551    -3.97326
   49    48 S   O    _O35    55     1.22767   119.70067   156.02912
   50    47 S   CA   _C23    42     1.39153   119.61438     1.14295
   51    47 S   OH   _O39    52     1.36348   121.80983   179.40062
   52    51 S   HO   _H17    53     0.96893   110.14400    -0.06256
   53    37 S   CT   _C27    56     1.54144   116.42733   126.75080
   54    50 S   CA   _C22    43     1.39203   119.82715     0.25334
   55    54 S   HA   _H14    44     1.08817   120.00801   179.24204
   56    50 S   CT   _C33    48     1.49340   121.03561   179.53775
   57    56 S   HC   _H18    49     1.09580   110.32793   -89.32753
   58    56 S   HC   _H19    50     1.09725   111.19448    31.18964
   59    56 S   HC   _H20    51     1.09719   111.22184   150.15890
   60    53 S   CT   _C28    57     1.57208   112.32021   -89.46865
   61    60 S   HC   _H7_    58     1.09587   114.15487   -97.26394
   62    53 S   CT   _C14    85     1.58789   114.31629    28.46501
   63    62 S   HC   _H4_    86     1.09543   114.22884   133.07283
   64    43 S   CA   _C21    45     1.40352   122.70514  -161.51403
   65    60 S   CO4  _C30    59     1.52848   112.88679    26.49401
   66    65 S   O    _O37    60     1.23128   121.03421  -104.17963
   67    62 S   CT   _C15    87     1.51265   115.06089     3.14877
   68    67 S   HC   _H5_    88     1.09401   111.63916    65.64714
   69    60 S   CT   _C29    93     1.52313   102.83019   143.01209
   70    69 S   HC   _H8_    94     1.09822   110.06247    70.36348
   71    64 S   OH   _O40    46     1.36611   122.23454     3.30950
   72    71 S   HO   _H21    47     0.96894   109.98089   179.09022
   73    65 S   CT   _C31    61     1.53526   117.29619    77.06723
   74    73 S   HC   _H16    62     1.09067   108.96203  -144.69539
   75    67 S   OH   _O43    91     1.41999   110.56583  -175.37280
   76    75 S   HO   _H24    92     0.97156   106.77093  -179.98022
   77    69 S   OH   _O36    95     1.40762   114.30360  -169.83682
   78    77 S   HO   _H15    96     0.97503   107.56124  -179.98022
   79    73 S   CO4  _C32    63     1.52753   109.99067   104.48028
   80    79 S   O    _O38    64     1.22980   120.02518    39.68364
   81    79 S   CA   _C8_    65     1.47347   119.47628  -142.36878
   82    81 S   CA   _C9_    66     1.38932   120.78589    -5.00555
   83    82 S   CA   _C10    67     1.40152   120.02827  -178.74524
   84    82 S   CO4  _C11    80     1.47290   120.73395     0.42978
   85    84 S   O    _O34    81     1.22820   118.81638  -154.55835
   86    83 S   CA   _C5_    68     1.39505   120.08259    -0.59083
   87    83 S   OH   _O33    78     1.36594   121.90764  -178.79407
   88    87 S   HO   _H13    79     0.96956   109.94852    -0.03956
   89    73 S   CT   _C12    82     1.54508   110.16185   -25.65115
   90    86 S   CA   _C6_    69     1.39138   119.95160     0.20077
   91    90 S   HA   _H12    70     1.08808   120.15641  -179.86583
   92    86 S   CT   _C4_    74     1.49317   120.97421  -179.51342
   93    92 S   HC   _H9_    75     1.09614   110.28518   -90.25558
   94    92 S   HC   _H10    76     1.09703   111.20928    30.25100
   95    92 S   HC   _H11    77     1.09704   111.19099   149.22170
   96    89 S   CT   _C13    83     1.58317   111.66565    44.82054
   97    96 S   HC   _H3_    84     1.09598   112.14420   126.43553
   98    81 S   CA   _C7_    71     1.40139   119.45811   175.66912
   99    98 S   OH   _O44    72     1.36405   122.91661    -1.33794
  100    99 S   HO   _H25    73     0.96965   110.06338     0.41684
  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
  19   2   1   1  22  22   9   5   1  12  14   4   1  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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    53    89    67    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    53    60    73    84    89    96    62    67    68    38    39    75    44    40    41  
   35    36  
   36  
    0  
   42    43    46    64    48    49    53    60    61    65    89    96    62    63    67    38    39    69    44    45    40    41  
   39    75    76    69    40    41    42    53    62    63    65    67    68    73    74    79    82    84    85    89    96    97  
   75    40    62    67    68    73    84    89    96  
   41    42    53    67    89  
    0  
   43    46    47    54    64    71    48    53    60    62    44    45  
   46    47    50    54    55    64    71    72    51    48    49    53    44    45  
   45    46    53    64  
    0  
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   549.000  1.340
   37    53   317.000  1.510
   42    43   320.000  1.460
   42    44   510.000  1.338
   43    46   469.000  1.400
   43    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    38   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    38   268.000  1.529
   67    75   320.000  1.410
   38    39   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
   44    45   553.000  0.945
   40    41   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    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    53    65.00000  117.92700
   33    38    89    58.35000  112.70000
   33    38    67    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    40    41    55.00000  108.50000
   37    42    43    60.00000  123.20500
   37    42    44    80.00000  121.38400
   37    53    48    70.00000  109.06800
   37    53    60    70.00000  112.02700
   37    53    62    70.00000  112.02700
   42    43    46    60.00000  120.93500
   42    43    64    60.00000  120.93500
   42    44    45    70.00000  107.45700
   43    46    47    63.00000  120.00000
   43    46    48    60.00000  119.52600
   43    64    54    63.00000  120.00000
   43    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    43    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    42    70.00000  124.00000
   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    38    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    38    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    38    67    58.35000  112.70000
   89    38    39    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    38    58.35000  112.70000
   62    67    75    50.00000  109.50000
   67    62    63    37.50000  110.70000
   67    38    39    37.50000  110.70000
   67    75    76    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    89    96    58.35000  112.70000
   38    67    68    37.50000  110.70000
   75    67    68    35.00000  109.50000
   75    67    38    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
   44    42    43    85.00000  114.86500
   40    33    37    90.00000  110.39200
   40    33    38    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
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   62    96    69    77  -0.17500 -1.0 2.0
   62    96    69    77   0.20800  1.0 3.0
   62    67   -38    33   0.56750  1.0 1.0
   62    67   -38    33  -0.07550 -1.0 2.0
   62    67   -38    33   0.20000  1.0 3.0
   62    67   -38    89   0.56750  1.0 1.0
   62    67   -38    89  -0.07550 -1.0 2.0
   62    67   -38    89   0.20000  1.0 3.0
   62    67    38    39   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    38   0.15000  1.0 3.0
   63    62    67    75   0.23400  1.0 3.0
   68    67    38    33   0.15000  1.0 3.0
   68    67    38    89   0.15000  1.0 3.0
   68    67    38    39   0.15000  1.0 3.0
   68    67    75    76   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    53   0.46850  1.0 1.0
   38    33   -37    53   0.08550 -1.0 2.0
   38    33   -37    53   0.09800  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   38    89    96    97   0.15000  1.0 3.0
   38    89   -96    62   0.56750  1.0 1.0
   38    89   -96    62  -0.07550 -1.0 2.0
   38    89   -96    62   0.20000  1.0 3.0
   38    89    96    69   0.56750  1.0 1.0
   38    89    96    69  -0.07550 -1.0 2.0
   38    89    96    69   0.20000  1.0 3.0
   38    67    75    76  -0.11600  1.0 1.0
   38    67    75    76  -0.09450 -1.0 2.0
   38    67    75    76   0.21250  1.0 3.0
   75    67    38    33   0.86500  1.0 1.0
   75    67    38    33  -0.17500 -1.0 2.0
   75    67    38    33   0.20800  1.0 3.0
   75    67    38    89   0.86500  1.0 1.0
   75    67    38    89  -0.17500 -1.0 2.0
   75    67    38    89   0.20800  1.0 3.0
   75    67    38    39   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
   44    42    43    46  -0.01750  1.0 1.0
   44    42    43    46  -0.32000 -1.0 2.0
   44    42    43    46   0.00600  1.0 3.0
   44    42    43    64  -0.01750  1.0 1.0
   44    42    43    64  -0.32000 -1.0 2.0
   44    42    43    64   0.00600  1.0 3.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    53   0.18000  1.0 1.0
   40    33    37    53   0.16450 -1.0 2.0
   40    33    37    53   0.04450  1.0 3.0
   40    33    38    89   0.86500  1.0 1.0
   40    33    38    89  -0.17500 -1.0 2.0
   40    33    38    89   0.20800  1.0 3.0
   40    33    38    67   0.86500  1.0 1.0
   40    33    38    67  -0.17500 -1.0 2.0
   40    33    38    67   0.20800  1.0 3.0
   40    33    38    39   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
   33    53    37    42   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   46    64    43    42   4.00000 -1.0 2.0
   47    48    46    43   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    43   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
