* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    202    336     614
    1     0 S   NP   _N1_     1    28.85354    97.78075   -22.39104
    2     1 S   H    _HN1     2     1.02817   105.59636  -113.51055
    3     1 S   H    _H1_     3     1.02860    65.82048   -10.23107
    4     1 S   H    _H2_     4     1.02936    44.65408   146.87356
    5     1 S   CT   _CA1     5     1.50440   140.64688    84.30196
    6     5 S   HC   _HA1     6     1.09693   104.63962   104.39539
    7     5 S   CO3  _C1_     7     1.54333   110.87291   -11.75262
    8     7 S   O2Z  _O11     8     1.26031   116.60090  -110.81682
    9     7 S   O2Z  _O12     9     1.26538   113.85362    67.97254
   10     5 S   CT   _CB1    10     1.53106   107.03249  -139.65124
   11    10 S   HC   HB11    11     1.09849   109.85633   -44.30819
   12    10 S   HC   HB12    12     1.09767   110.31898    72.32387
   13    10 S   CT   _CG1    13     1.53046   112.29445  -164.78955
   14    13 S   HC   HG11    14     1.09453   110.90867   -62.23062
   15    13 S   HC   HG12    15     1.09651   109.68948    56.94323
   16    13 S   C    _CD1    16     1.51717   111.95499   177.97165
   17    16 S   O    _OE1    17     1.22778   123.02631    16.49195
   18    16 S   N    _N2_    18     1.38690   112.05465  -164.41867
   19    18 S   H    _HN2    19     1.01539   119.26114     3.60016
   20    18 S   CT1  _CA2    20     1.46249   123.10794  -179.39380
   21    20 S   HC   _HA2    21     1.09747   108.96792     8.83656
   22    20 S   C    _C2_    22     1.53634   109.50603  -106.89978
   23    22 S   O    _O2_    23     1.23088   122.07142  -152.21472
   24    20 S   CT   _CB2    32     1.53710   111.90856   130.21664
   25    24 S   HC   HB21    33     1.09181   109.76269    65.92486
   26    24 S   HC   HB22    34     1.09537   108.85742  -176.19512
   27    22 S   N    _N3_    24     1.38257   114.03511    35.11764
   28    27 S   H    _HN3    25     1.01532   119.60218    -3.22998
   29    24 S   S    _SG2    35     1.82932   111.01330   -57.44046
   30    27 S   CT   _CA3    26     1.45279   123.30866   177.25127
   31    30 S   HC   HA31    27     1.09547   107.49947   -65.12886
   32    30 S   HC   HA32    28     1.09554   108.02088    51.34240
   33    29 S   CT   _C13    36     1.94990   104.99251   159.92690
   34    30 S   CO3  _C3_    29     1.52981   114.01620   173.33332
   35    34 S   O2Z  _O31    30     1.26390   116.06817    -0.99603
   36    34 S   O2Z  _O32    31     1.26421   114.42719   179.08315
   37    33 S   CT   _C12    37     1.57085   107.79305   -89.52112
   38    37 S   HC   _H6_    38     1.09356   106.73582  -178.30211
   39    33 S   CT   _C14    82     1.57629   108.22463    42.28177
   40    39 S   OM   _O35    83     1.32395   111.26347  -163.16947
   41    39 S   HC   _H7_    84     1.09212   109.85458   -34.17497
   42    37 S   CT   _C15    39     1.53801   114.77907    66.34796
   43    42 S   HC   _H17    40     1.09533   110.39695    54.86853
   44    42 S   HC   _H18    41     1.09109   110.91614   -63.30961
   45    37 S   CT   _C11    59     1.57486   112.49375   -61.28462
   46    45 S   HC   _H5_    60     1.09636   106.48292    68.70921
   47    42 S   CT   _C16    42     1.52627   112.00505   176.01366
   48    47 S   HC   _H19    43     1.09705   109.14193   178.39148
   49    47 S   HC   _H20    44     1.09638   109.24524   -66.34245
   50    45 S   CT   _C10    61     1.55499   113.31998   -46.31481
   51    50 S   HC   _H15    62     1.09376   110.22431   -80.78088
   52    50 S   HC   _H16    63     1.09634   109.30797   163.50351
   53    47 S   CT   _C17    45     1.53766   112.73408    56.08145
   54    53 S   HC   _H8_    46     1.09964   106.65197  -173.00515
   55    50 S   CT   _C9_    64     1.53787   116.01619    42.21360
   56    55 S   HC   _H13    65     1.09446   109.48809    75.84330
   57    55 S   HC   _H14    66     1.09771   108.42114  -170.65603
   58    53 S   CT   _C22    47     1.54694   110.21296    71.89266
   59    58 S   HC   _H25    48     1.09422   110.83196   -57.57627
   60    58 S   HC   _H26    49     1.09751   108.51886    59.48205
   61    33 S   CT   _C8_    67     1.59992   108.71160   153.14781
   62    58 S   CT   _C21    50     1.52457   112.99917  -179.43733
   63    62 S   HC   _H9_    51     1.09427   109.24321   175.69279
   64    61 S   CT   _C7_    68     1.56396   101.83867   -68.64041
   65    64 S   HC   _H4_    69     1.10011   106.30696    73.17516
   66    61 S   CT   _C24    92     1.56575   115.59543   173.91988
   67    66 S   HC   _H31    93     1.09235   113.40486    71.06712
   68    66 S   HC   _H32    94     1.09207   113.47670   -51.59234
   69    66 S   HC   _H33    95     1.09735   110.51964  -170.32131
   70    62 S   CT   _C20    52     1.52429   111.24022    53.88611
   71    70 S   HC   _H23    53     1.09664   109.67396  -174.55338
   72    70 S   HC   _H24    54     1.09537   110.06589    67.95052
   73    64 S   CM   _C25    70     1.52152   117.18951  -171.36082
   74    64 S   CT   _C6_    80     1.57919   104.27368   -35.39896
   75    74 S   HC   _H3_    81     1.10081   105.14898   127.85096
   76    62 S   OH   _O36   100     1.42570   108.95938   -67.63650
   77    76 S   HO   _H27   101     0.97280   107.26599  -177.43922
   78    70 S   CT   _C19    55     1.52750   111.41125   -54.55531
   79    78 S   HC   _H21    56     1.09543   109.24673  -178.99206
   80    78 S   HC   _H22    57     1.09918   107.86993   -65.31090
   81    73 S   CM   _C26    71     1.44821   117.16359   -92.32135
   82    81 S   HC   _H34    72     1.08553   118.93534     0.74599
   83    74 S   OS   _O34    85     1.43501   113.79201  -114.87846
   84    53 S   CT   _C18    58     1.56528   112.16657   -54.82028
   85    81 S   CM   _C27    73     1.33623   121.60502  -179.58316
   86    85 S   HC   _H35    74     1.08343   121.53772  -179.87967
   87    83 S   CO4  _C5_    86     1.36277   117.26161  -154.98271
   88    87 S   O    _O33    87     1.22344   126.75812     1.93270
   89    85 S   CO4  _C28    75     1.47422   120.60265     0.03956
   90    89 S   O    _O37    76     1.22654   120.63749   179.82529
   91    87 S   CT   _C4_    88     1.49862   109.27778  -178.46099
   92    91 S   HC   _H10    89     1.09291   109.81463   -61.73324
   93    91 S   HC   _H11    90     1.09376   109.37493   179.14545
   94    91 S   HC   _H12    91     1.09296   109.83039    60.14850
   95    84 S   CT   _C23    96     1.55356   108.71467   -69.45560
   96    95 S   HC   _H28    97     1.09215   113.16580    67.51251
   97    95 S   HC   _H29    98     1.09682   110.70913   -52.34793
   98    95 S   HC   _H30    99     1.09454   111.78178  -170.85207
   99    89 S   OS   _O38    77     1.36746   117.07919    -0.27411
  100    73 S   CM   _C29    78     1.33982   126.56129    88.01152
  101   100 S   HC   _H36    79     1.07985   126.43054    -1.71635
  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  13   5   4   3
  27   2   1   1  24  10  14   6   5  13   6   5  21   8  11   5
   4  12   6   5  16   7  12   4   3  12   6   5  12  10   6  16
   7   5   2   1   1   9   6   5  11   7   2   2   1   7   3   2
   8   4   6   4   5   3   5   4   4   2   3   2   1   1   3   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    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    55    61    64    74    39    40    41    66  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    84    45    46    50    55    56    57    61    64    65    73    74    75    39    40    41    83    66    67    68    69  
   35    36  
   36  
    0  
   38    42    43    44    47    48    49    53    78    84    45    46    50    51    52    55    61    64    74    39    40    41    66    95  
   42    43    44    47    84    45    46    50    61    39  
   40    41    83    87    66    42    45    55    61    64    65    73    74    75  
   41    83    61    64    74    75  
   83    61    64    74    75  
   43    44    47    48    49    53    54    58    84    45    46    50    61  
   44    47    48    49    53    45  
   47    48    49    53    45  
   46    50    51    52    55    56    57    61    95    96    97    98    47    53    54    58    70    78    79    80    84  
   50    51    52    55    95    53    78    84  
   48    49    53    54    58    59    60    62    78    84    95  
   49    53    54    58    84  
   53    54    58    84  
   51    52    55    56    57    61    64    66    95    53    78    84  
   52    55    56    57    61    84  
   55    56    57    61    84  
   54    58    59    60    62    63    70    78    79    80    84    95    96    97    98    76  
   58    59    60    62    78    84    95  
   56    57    61    64    65    73    74    66    67    68    69    84  
   57    61    64    66  
   61    64    66  
   59    60    62    63    70    71    72    78    84    95    76    77  
   60    62    63    70    84    76  
   62    63    70    84    76  
   64    65    73    81   100    74    75    83    66    67    68    69  
   63    70    71    72    78    79    80    84    76    77  
   70    71    72    78    76    77  
   65    73    81    82    85    99   100   101    74    75    83    87    66    67    68    69  
   73    81   100    74    75    83    66  
   67    68    69    73    74  
   68    69  
   69  
    0  
   71    72    78    79    80    84    95    76    77  
   72    78    79    80    84    76  
   78    79    80    84    76  
   81    82    85    86    89    99   100   101    74    75    83  
   75    83    87    88    91    81   100  
   83    87  
   77    78  
    0  
   79    80    84    95    96    97    98  
   80    84    95  
   84    95  
   82    85    86    89    90    99   100   101  
   85    86    89   100  
   87    88    91    92    93    94  
   95    96    97    98  
   86    89    90    99   100  
   89    90    99  
   88    91    92    93    94  
   91    92    93    94  
   90    99   100   101  
   99   100  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98  
   97    98  
   98  
    0  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
  100   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    61   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    84   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    70   268.000  1.529
   62    76   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    45   268.000  1.529
   84    95   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    64   268.000  1.529
   61    66   268.000  1.529
   64    65   340.000  1.090
   64    73   317.000  1.510
   64    74   268.000  1.529
   73    81   380.000  1.444
   73   100   549.000  1.340
   81    82   340.000  1.080
   81    85   549.000  1.340
   85    86   340.000  1.080
   85    89   320.000  1.462
   89    90   570.000  1.229
   89    99   214.000  1.327
   99   100   440.000  1.360
  100   101   340.000  1.080
   74    75   340.000  1.090
   74    39   268.000  1.529
   74    83   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   83    87   214.000  1.327
   87    88   570.000  1.229
   87    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   76    77   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    61    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    61    55    58.35000  112.70000
   33    61    64    58.35000  112.70000
   33    61    66    58.35000  112.70000
   33    39    74    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    45    84    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    50    58.35000  112.70000
   42    37    38    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    58    58.35000  112.70000
   47    53    84    58.35000  112.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    62    58.35000  112.70000
   53    84    78    58.35000  112.70000
   53    84    45    58.35000  112.70000
   53    84    95    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    70    58.35000  112.70000
   58    62    76    50.00000  109.50000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    78    58.35000  112.70000
   62    76    77    55.00000  108.50000
   70    62    63    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    84    58.35000  112.70000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    84    45    58.35000  112.70000
   78    84    95    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    53    54    37.50000  110.70000
   84    53    58    58.35000  112.70000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    45    46    37.50000  110.70000
   84    45    50    58.35000  112.70000
   84    95    96    37.50000  110.70000
   84    95    97    37.50000  110.70000
   84    95    98    37.50000  110.70000
   45    37    38    37.50000  110.70000
   45    37    42    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    55    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    61    64    58.35000  112.70000
   55    61    66    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    33    37    58.35000  112.70000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    73    70.00000  112.02700
   61    64    74    58.35000  112.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   64    73    81    70.00000  124.00000
   64    73   100    70.00000  124.00000
   64    74    75    37.50000  110.70000
   64    74    39    58.35000  112.70000
   64    74    83    50.00000  109.50000
   73    64    65    35.00000  109.50000
   73    81    82    35.00000  120.00000
   73    81    85    70.00000  123.01800
   73   100    99    80.00000  120.01400
   73   100   101    35.00000  120.00000
   81    85    86    35.00000  120.00000
   81    85    89    65.00000  118.96000
   85    81    82    35.00000  120.00000
   85    89    90    80.00000  123.72100
   85    89    99    90.00000  111.29400
   89    85    86    40.00000  117.72500
   89    99   100    90.00000  114.22900
   99    89    90    83.00000  123.40000
   99   100   101    55.00000  109.52600
  100    73    81    70.00000  123.01800
   74    64    65    37.50000  110.70000
   74    64    73    70.00000  112.02700
   74    39    40    50.00000  109.50000
   74    39    41    37.50000  110.70000
   74    83    87    83.00000  116.90000
   39    33    37    58.35000  112.70000
   39    33    61    58.35000  112.70000
   39    74    75    37.50000  110.70000
   41    39    40    45.00000  125.66300
   83    74    75    35.00000  109.50000
   83    74    39    50.00000  109.50000
   83    87    88    83.00000  123.40000
   83    87    91    81.00000  111.40000
   87    91    92    35.00000  109.50000
   87    91    93    35.00000  109.50000
   87    91    94    35.00000  109.50000
   91    87    88    80.00000  120.40000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   66    61    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   95    84    45    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   76    62    63    35.00000  109.50000
   76    62    70    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
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   74    64    73   100   0.09850  1.0 1.0
   74    64    73   100   0.15250 -1.0 2.0
   74    64    73   100  -0.50650  1.0 3.0
   74    83    87    88   3.00000 -1.0 2.0
   74    83    87    91   1.63150  1.0 1.0
   74    83    87    91   2.92000 -1.0 2.0
   75    74    39    33   0.15000  1.0 3.0
   75    74    39    40   0.23400  1.0 3.0
   75    74    39    41   0.15000  1.0 3.0
   75    74    83    87   0.08050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    61    55   0.56750  1.0 1.0
   39    33    61    55  -0.07550 -1.0 2.0
   39    33    61    55   0.20000  1.0 3.0
   39    33   -61    64   0.56750  1.0 1.0
   39    33   -61    64  -0.07550 -1.0 2.0
   39    33   -61    64   0.20000  1.0 3.0
   39    33    61    66   0.56750  1.0 1.0
   39    33    61    66  -0.07550 -1.0 2.0
   39    33    61    66   0.20000  1.0 3.0
   39    74    83    87  -0.25900  1.0 1.0
   39    74    83    87  -0.47000 -1.0 2.0
   39    74    83    87   0.11750  1.0 3.0
   83    74    39    33   0.62750  1.0 1.0
   83    74    39    33  -0.30950 -1.0 2.0
   83    74    39    33   0.27300  1.0 3.0
   83    74    39    40   1.11900  1.0 1.0
   83    74    39    40  -1.16350 -1.0 2.0
   83    74    39    40  -0.34150  1.0 3.0
   83    74    39    41   0.23400  1.0 3.0
   83    87    91    92   0.00000  1.0 1.0
   83    87    91    93   0.00000  1.0 1.0
   83    87    91    94   0.00000  1.0 1.0
   88    87    91    92   0.00000  1.0 1.0
   88    87    91    93   0.00000  1.0 1.0
   88    87    91    94   0.00000  1.0 1.0
   66    61    64    65   0.15000  1.0 3.0
   66    61    64    73   0.34400  1.0 1.0
   66    61    64    73   0.09450 -1.0 2.0
   66    61    64    73   0.11100  1.0 3.0
   66    61    64    74   0.56750  1.0 1.0
   66    61    64    74  -0.07550 -1.0 2.0
   66    61    64    74   0.20000  1.0 3.0
   95    84    45    37   0.56750  1.0 1.0
   95    84    45    37  -0.07550 -1.0 2.0
   95    84    45    37   0.20000  1.0 3.0
   95    84    45    46   0.15000  1.0 3.0
   95    84    45    50   0.56750  1.0 1.0
   95    84    45    50  -0.07550 -1.0 2.0
   95    84    45    50   0.20000  1.0 3.0
   76    62    70    71   0.23400  1.0 3.0
   76    62    70    72   0.23400  1.0 3.0
   76    62    70    78   0.86500  1.0 1.0
   76    62    70    78  -0.17500 -1.0 2.0
   76    62    70    78   0.20800  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
   64    81    73   100   1.10000 -1.0 2.0
   73    82    81    85   1.10000 -1.0 2.0
   89    86    85    81   1.10000 -1.0 2.0
   85    99    89    90  10.50000 -1.0 2.0
   99   101   100    73   1.10000 -1.0 2.0
   83    91    87    88  10.50000 -1.0 2.0
END
