* LIGAND DATABASE FILE (OPLS2005)
*
001     106   112    220    380     673
    1     0 S   NP   _N1_     1    29.55581    93.46169   -19.13098
    2     1 S   H    _HN1     2     1.02766    94.46680   -35.72145
    3     1 S   H    _H1_     3     1.02966   119.22169    78.31914
    4     1 S   H    _H2_     4     1.02831    15.31961   116.72394
    5     1 S   CT   _CA1     5     1.50226   111.04671  -151.80929
    6     5 S   HC   _HA1     6     1.09567   105.11177    43.00392
    7     5 S   CO3  _C1_     7     1.53768   112.68963   -76.81875
    8     7 S   O2Z  _O11     8     1.26381   114.99289   -30.38527
    9     7 S   O2Z  _O12     9     1.26244   115.06199   148.62660
   10     5 S   CT   _CB1    10     1.53016   107.30394   161.00089
   11    10 S   HC   HB11    11     1.09852   109.38171   -48.20756
   12    10 S   HC   HB12    12     1.09722   110.27940    67.97911
   13    10 S   CT   _CG1    13     1.52951   113.05261  -169.39353
   14    13 S   HC   HG11    14     1.09493   111.20364   -69.94112
   15    13 S   HC   HG12    15     1.09600   110.85865    49.49154
   16    13 S   C    _CD1    16     1.51317   110.02187   168.77452
   17    16 S   O    _OE1    17     1.22880   121.66784   -95.51676
   18    16 S   N    _N2_    18     1.38298   113.09123    82.66720
   19    18 S   H    _HN2    19     1.01671   119.21112     5.46016
   20    18 S   CT1  _CA2    20     1.45800   122.65236  -177.86128
   21    20 S   HC   _HA2    21     1.09678   109.61407    25.79040
   22    20 S   C    _C2_    22     1.52778   105.38927   -92.03965
   23    22 S   O    _O2_    23     1.22980   122.44095   -84.68171
   24    20 S   CT   _CB2    32     1.53201   111.97723   148.50684
   25    24 S   HC   HB21    33     1.09485   110.36265    55.81212
   26    24 S   HC   HB22    34     1.09554   109.46919   174.78861
   27    22 S   N    _N3_    24     1.38493   112.90037    91.50537
   28    27 S   H    _HN3    25     1.01551   119.62663     2.83200
   29    24 S   S    _SG2    35     1.82608   111.65116   -64.51817
   30    27 S   CT   _CA3    26     1.45414   122.77908   179.69610
   31    30 S   HC   HA31    27     1.09555   108.72548    34.31949
   32    30 S   HC   HA32    28     1.09482   107.23057   151.25104
   33    29 S   CT   _C32    36     1.82725   100.01725  -165.53095
   34    33 S   HC   _H3_    37     1.09622   107.68229    65.73335
   35    33 S   HC   _H4_    38     1.09630   107.23084   179.55413
   36    30 S   CO3  _C3_    29     1.53001   113.66970   -88.73002
   37    36 S   O2Z  _O31    30     1.26367   115.74426   -36.41787
   38    36 S   O2Z  _O32    31     1.26410   114.75766   144.47921
   39    33 S   CT   _C16    39     1.53103   114.73398   -57.52083
   40    39 S   HC   _H51    40     1.09492   110.96794    61.30220
   41    39 S   CO4  _C8_    41     1.50408   108.54252   178.74977
   42    41 S   O    _O34    42     1.22180   125.28761   -71.32901
   43    41 S   OS   _O36    43     1.35950   110.43360   107.15142
   44    43 S   CT   _C23    44     1.43908   110.85905    -1.37558
   45    44 S   HC   _H58    45     1.09665   106.59959   -99.46949
   46    44 S   CT   _C14    46     1.52641   106.77405   143.17334
   47    46 S   HC   _H48    47     1.09935   108.14739    58.37153
   48    46 S   HC   _H49    48     1.09782   109.65555   -53.41332
   49    39 S   CT   _C18    64     1.53441   115.04107   -66.55878
   50    49 S   HC   _H53    65     1.09287   110.86590    23.88126
   51    46 S   CT   _C22    49     1.53085   116.69359  -178.20234
   52    51 S   HC   _H57    50     1.09571   105.86865   171.81000
   53    51 S   CT   _C19    51     1.54586   115.22553    49.90848
   54    53 S   HC   _H54    52     1.09596   107.58314   -94.15420
   55    51 S   CT   _C30   103     1.53631   110.60032   -74.84875
   56    55 S   HC   _H64   104     1.09496   111.62159    64.66461
   57    55 S   HC   _H65   105     1.09525   110.83217   -55.68600
   58    55 S   HC   _H66   106     1.09520   110.75274  -175.00150
   59    53 S   CT   _C17    53     1.54020   114.17293   143.70219
   60    59 S   HC   _H52    54     1.09258   115.42148    55.86279
   61    59 S   CT   _C10    55     1.54144   104.60098   -69.01007
   62    61 S   HC   _H40    56     1.09236   112.88435  -153.09605
   63    61 S   HC   _H41    57     1.09160   112.87525    80.54585
   64    61 S   CO4  _C7_    58     1.50943    98.60881   -35.71954
   65    64 S   O    _O33    59     1.22207   124.18863  -178.23952
   66    53 S   CT   _C27    60     1.55363   120.04075    33.50902
   67    66 S   CT   _C11    61     1.53316   117.38983   -53.50475
   68    67 S   HC   _H42    62     1.09120   109.06111  -144.74797
   69    67 S   HC   _H43    63     1.09718   111.02321   101.28203
   70    66 S   CT   _C28    66     1.59585   102.39112   175.91630
   71    70 S   CO4  _C9_    67     1.52875   111.81687    81.90889
   72    71 S   O    _O35    68     1.22227   126.28168   -64.23214
   73    59 S   CT   _C12   100     1.54529   102.07330   178.38893
   74    73 S   HC   _H44   101     1.08826   109.19322   161.10722
   75    73 S   HC   _H45   102     1.09671   109.10970   -82.63633
   76    71 S   OS   _O37    69     1.36070   111.20159   117.14423
   77    76 S   CT   _C24    70     1.42608   110.74369   -10.24131
   78    77 S   HC   _H59    71     1.09777   105.00528   -91.14497
   79    77 S   CT   _C13    72     1.52802   110.06390   158.08440
   80    79 S   HC   _H46    73     1.09754   109.14546   173.80302
   81    79 S   HC   _H47    74     1.09843   105.77798    60.54237
   82    70 S   CT   _C20    88     1.56565   114.37386  -162.44067
   83    82 S   HC   _H55    89     1.09859   107.19770     5.71093
   84    79 S   CT   _C21    75     1.54548   118.56498   -58.94316
   85    84 S   HC   _H56    76     1.09440   109.92872    45.67818
   86    84 S   CT   _C15    77     1.53591   108.89800   -76.64088
   87    86 S   HC   _H50    78     1.10073   106.16023   -49.32221
   88    84 S   CT   _C29    96     1.53700   108.41216   161.78952
   89    88 S   HC   _H61    97     1.09528   111.40122    64.56460
   90    88 S   HC   _H62    98     1.09579   110.82258   -55.68481
   91    88 S   HC   _H63    99     1.09433   111.25104  -174.28722
   92    86 S   CM   _C5_    79     1.50827   120.31496  -165.02696
   93    92 S   HC   _H39    80     1.08129   123.78481    36.55724
   94    92 S   CM   _C4_    81     1.33668   113.32785  -151.97274
   95    94 S   HC   _H38    82     1.07494   129.04335  -174.07967
   96    94 S   CO4  _C6_    83     1.47626   105.17276     6.86341
   97    96 S   O    _O30    84     1.22153   122.91119  -169.73595
   98    86 S   CT   _C26    85     1.55105   113.50918    72.62041
   99    98 S   CT   _C25    86     1.54399   113.35300   -80.20417
  100    99 S   HC   _H60    87     1.09308   109.26744  -155.60027
  101    98 S   CT   _C31    92     1.54210   113.83589    52.28084
  102   101 S   HC   _H67    93     1.08632   112.83573   -73.82137
  103   101 S   HC   _H68    94     1.09476   111.28018   164.14131
  104   101 S   HC   _H69    95     1.09681   112.04176    46.11472
  105    99 S   OH   _O38    90     1.44302   107.79854   -44.16969
  106   105 S   HO   _H72    91     0.97305   107.72591  -164.96639
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
   9   4  15   8  22   9   5   2   1   1  14   9  10   5   4   9
   3  14   6   2   1  15  11   4   7   2   1   9  14   7  15   6
   5  10   4  14   8  19   8   5   2   1   1   8   4   6   3   9
   3   8   7   3   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    67    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    67    68    69    49    50  
   41    42    43    44    67    49    50  
   42    43    44    45    46    67    49    50  
   43    44    49  
   44    45    46    47    48    51    67    49    50  
   45    46    47    48    51    52    53    66    67    68    69    49    50    55  
   46    47    48    51    67    49    50  
   47    48    51    52    53    54    59    66    67    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    70    51    53    64    66    67    68    69  
   66    67    68    69  
   52    53    54    59    60    61    64    66    67    70    73    55    56    57    58  
   53    54    59    66    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    68    69    70    71    82    73    74    75    55    56    57    58  
   59    60    61    64    66    67    70    73    55  
   56    57    58    59    66  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    70    71    82    73    74    75  
   61    62    63    64    66    70    73    74    75  
   62    63    64    65    66    67    70    73    74    75  
   63    64    65    66    73  
   64    65    66    73  
   65    66    67    68    69    70    71    82    73  
   66    67    70  
   67    68    69    70    71    72    76    77    99    82    83    73    74    75  
   68    69    70    71    82    73  
   69    70  
   70  
   71    72    76    77    78    79    98    99   100    82    83   105    73    74    75  
   72    76    77    78    79    99    82    83    73    74    75  
   76    77    82    73  
   74    75    76    77    82    83    99  
   75    82  
   82  
   77    78    79    80    81    84    99    82    83  
   78    79    80    81    84    85    86    98    99   100    82    83   105    88  
   79    80    81    84    99    82    83  
   80    81    84    85    86    87    92    98    99    82    83    88    89    90    91  
   81    84    85    86    82    88  
   84    85    86    82    88  
   83   105   106   101    84    86    96    98    99   100  
  105    98    99   100  
   85    86    87    92    93    94    96    98    99   101    88    89    90    91  
   86    87    92    98    88    89    90    91  
   87    92    93    94    95    96    97    98    99   100   105   101   102   103   104    88    89    90    91  
   92    93    94    96    98    99   101    88  
   89    90    91    92    98  
   90    91  
   91  
    0  
   93    94    95    96    97    98    99   101  
   94    95    96    98  
   95    96    97    98    99   101  
   96    97    98  
   97    98    99   100   105   101   102   103   104  
   98    99   101  
   99   100   105   106   101   102   103   104  
  100   105   106   101   102   103   104  
  105   106   101  
  102   103   104   105  
  103   104  
  104  
    0  
  106  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   99   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    66   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    73   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.522
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    49   268.000  1.529
   49    50   340.000  1.090
   70    71   317.000  1.522
   70    82   268.000  1.529
   70    73   268.000  1.529
   71    72   570.000  1.229
   71    76   214.000  1.327
   76    77   320.000  1.410
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    92   317.000  1.510
   86    98   268.000  1.529
   92    93   340.000  1.080
   92    94   549.000  1.340
   94    95   340.000  1.080
   94    96   320.000  1.462
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   268.000  1.529
   98   101   268.000  1.529
   99   100   340.000  1.090
   99    82   268.000  1.529
   99   105   320.000  1.410
   82    83   340.000  1.090
  105   106   553.000  0.945
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    67    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    67    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    58.35000  112.70000
   51    53    66    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    58.35000  112.70000
   53    59    73    58.35000  112.70000
   53    66    64    63.00000  111.10000
   53    66    67    58.35000  112.70000
   53    66    70    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    63.00000  111.10000
   59    73    70    58.35000  112.70000
   59    73    74    37.50000  110.70000
   59    73    75    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    64    65    80.00000  120.40000
   61    64    66    70.00000  116.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    66    67    63.00000  111.10000
   64    66    70    63.00000  111.10000
   66    53    54    37.50000  110.70000
   66    53    59    58.35000  112.70000
   66    64    65    80.00000  120.40000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    49    58.35000  112.70000
   66    70    71    63.00000  111.10000
   66    70    82    58.35000  112.70000
   66    70    73    58.35000  112.70000
   67    49    50    37.50000  110.70000
   69    67    68    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    67    68    37.50000  110.70000
   49    67    69    37.50000  110.70000
   70    66    67    58.35000  112.70000
   70    71    72    80.00000  120.40000
   70    71    76    81.00000  111.40000
   70    82    77    58.35000  112.70000
   70    82    99    58.35000  112.70000
   70    82    83    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   71    76    77    83.00000  116.90000
   76    71    72    83.00000  123.40000
   76    77    78    35.00000  109.50000
   76    77    79    50.00000  109.50000
   76    77    82    50.00000  109.50000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    84    58.35000  112.70000
   77    82    99    58.35000  112.70000
   77    82    83    37.50000  110.70000
   79    77    78    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    58.35000  112.70000
   79    84    88    58.35000  112.70000
   81    79    80    33.00000  107.80000
   84    79    80    37.50000  110.70000
   84    79    81    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    92    70.00000  112.02700
   84    86    98    58.35000  112.70000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    92    93    35.00000  117.00000
   86    92    94    70.00000  124.00000
   86    98    96    63.00000  111.10000
   86    98    99    58.35000  112.70000
   86    98   101    58.35000  112.70000
   92    86    87    35.00000  109.50000
   92    94    95    35.00000  120.00000
   92    94    96    65.00000  118.96000
   94    92    93    35.00000  120.00000
   94    96    97    80.00000  123.72100
   94    96    98    65.00000  118.62400
   96    94    95    40.00000  117.72500
   96    98    99    63.00000  111.10000
   96    98   101    63.00000  111.10000
   98    86    87    37.50000  110.70000
   98    86    92    70.00000  112.02700
   98    96    97    80.00000  120.40000
   98    99   100    37.50000  110.70000
   98    99    82    58.35000  112.70000
   98    99   105    50.00000  109.50000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    37.50000  110.70000
   99    82    83    37.50000  110.70000
   99   105   106    55.00000  108.50000
   82    70    71    63.00000  111.10000
   82    77    78    37.50000  110.70000
   82    77    79    58.35000  112.70000
   82    99   100    37.50000  110.70000
  105    99   100    35.00000  109.50000
  105    99    82    50.00000  109.50000
  101    98    99    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   73    59    60    37.50000  110.70000
   73    59    61    58.35000  112.70000
   73    70    71    63.00000  111.10000
   73    70    82    58.35000  112.70000
   75    73    74    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   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
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   79    77    82    99   0.56750  1.0 1.0
   79    77    82    99  -0.07550 -1.0 2.0
   79    77    82    99   0.20000  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    84    86    87   0.15000  1.0 3.0
   79    84    86    92   0.34400  1.0 1.0
   79    84    86    92   0.09450 -1.0 2.0
   79    84    86    92   0.11100  1.0 3.0
   79    84    86    98   0.56750  1.0 1.0
   79    84    86    98  -0.07550 -1.0 2.0
   79    84    86    98   0.20000  1.0 3.0
   79    84    88    89   0.15000  1.0 3.0
   79    84    88    90   0.15000  1.0 3.0
   79    84    88    91   0.15000  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    88   0.15000  1.0 3.0
   81    79    84    85   0.15000  1.0 3.0
   81    79    84    86   0.15000  1.0 3.0
   81    79    84    88   0.15000  1.0 3.0
   84    86    92    93   0.00000  1.0 1.0
   84    86    92    94   0.09850  1.0 1.0
   84    86    92    94   0.15250 -1.0 2.0
   84    86    92    94  -0.50650  1.0 3.0
   84    86    98    96  -0.95700  1.0 1.0
   84    86    98    96  -0.18200 -1.0 2.0
   84    86    98    96   0.29450  1.0 3.0
   84    86    98    99   0.56750  1.0 1.0
   84    86    98    99  -0.07550 -1.0 2.0
   84    86    98    99   0.20000  1.0 3.0
   84    86    98   101   0.56750  1.0 1.0
   84    86    98   101  -0.07550 -1.0 2.0
   84    86    98   101   0.20000  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    92   0.15000  1.0 3.0
   85    84    86    98   0.15000  1.0 3.0
   85    84    88    89   0.15000  1.0 3.0
   85    84    88    90   0.15000  1.0 3.0
   85    84    88    91   0.15000  1.0 3.0
   86    84    88    89   0.15000  1.0 3.0
   86    84    88    90   0.15000  1.0 3.0
   86    84    88    91   0.15000  1.0 3.0
   86    92    94    95   7.00000 -1.0 2.0
   86    92   -94    96   7.00000 -1.0 2.0
   86    98    99   100   0.15000  1.0 3.0
   86    98    99    82   0.56750  1.0 1.0
   86    98    99    82  -0.07550 -1.0 2.0
   86    98    99    82   0.20000  1.0 3.0
   86    98    99   105   0.86500  1.0 1.0
   86    98    99   105  -0.17500 -1.0 2.0
   86    98    99   105   0.20800  1.0 3.0
   86    98   101   102   0.15000  1.0 3.0
   86    98   101   103   0.15000  1.0 3.0
   86    98   101   104   0.15000  1.0 3.0
   87    86    92    93   0.33100  1.0 3.0
   87    86    92    94   0.00000  1.0 1.0
   87    86    98    96  -0.11250  1.0 3.0
   87    86    98    99   0.15000  1.0 3.0
   87    86    98   101   0.15000  1.0 3.0
   92    86   -98    96  -0.98800  1.0 1.0
   92    86   -98    96   0.48800 -1.0 2.0
   92    86   -98    96   0.76800  1.0 3.0
   92    86    98    99   0.34400  1.0 1.0
   92    86    98    99   0.09450 -1.0 2.0
   92    86    98    99   0.11100  1.0 3.0
   92    86    98   101   0.34400  1.0 1.0
   92    86    98   101   0.09450 -1.0 2.0
   92    86    98   101   0.11100  1.0 3.0
   92    94    96    97   1.00000 -1.0 2.0
   92    94   -96    98  -0.33500  1.0 1.0
   92    94   -96    98   1.06600 -1.0 2.0
   92    94   -96    98  -0.14000  1.0 3.0
   93    92    94    95   7.00000 -1.0 2.0
   93    92    94    96   7.00000 -1.0 2.0
   94    96   -98    86   0.65300  1.0 1.0
   94    96   -98    86  -0.03850 -1.0 2.0
   94    96   -98    86   0.33900  1.0 3.0
   94    96    98    99   0.65300  1.0 1.0
   94    96    98    99  -0.03850 -1.0 2.0
   94    96    98    99   0.33900  1.0 3.0
   94    96    98   101   0.65300  1.0 1.0
   94    96    98   101  -0.03850 -1.0 2.0
   94    96    98   101   0.33900  1.0 3.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98   0.04550  1.0 1.0
   95    94    96    98   0.83000 -1.0 2.0
   95    94    96    98  -0.04000  1.0 3.0
   96    98    99   100  -0.11250  1.0 3.0
   96    98    99    82  -0.95700  1.0 1.0
   96    98    99    82  -0.18200 -1.0 2.0
   96    98    99    82   0.29450  1.0 3.0
   96    98    99   105  -0.09450  1.0 1.0
   96    98    99   105  -1.12950 -1.0 2.0
   96    98    99   105   0.54000  1.0 3.0
   96    98   101   102  -0.11250  1.0 3.0
   96    98   101   103  -0.11250  1.0 3.0
   96    98   101   104  -0.11250  1.0 3.0
   97    96    98    86   0.30150 -1.0 2.0
   97    96    98    99   0.30150 -1.0 2.0
   97    96    98   101   0.30150 -1.0 2.0
   98    86    92    93   0.00000  1.0 1.0
   98    86   -92    94   0.09850  1.0 1.0
   98    86   -92    94   0.15250 -1.0 2.0
   98    86   -92    94  -0.50650  1.0 3.0
   98    99    82    70   0.56750  1.0 1.0
   98    99    82    70  -0.07550 -1.0 2.0
   98    99    82    70   0.20000  1.0 3.0
   98    99    82    77   0.56750  1.0 1.0
   98    99    82    77  -0.07550 -1.0 2.0
   98    99    82    77   0.20000  1.0 3.0
   98    99    82    83   0.15000  1.0 3.0
   98    99   105   106  -0.11600  1.0 1.0
   98    99   105   106  -0.09450 -1.0 2.0
   98    99   105   106   0.21250  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
   99    98   101   104   0.15000  1.0 3.0
  100    99    82    70   0.15000  1.0 3.0
  100    99    82    77   0.15000  1.0 3.0
  100    99    82    83   0.15000  1.0 3.0
  100    99   105   106   0.19450  1.0 3.0
   82    70    71    72   0.30150 -1.0 2.0
   82    70   -71    76   0.36750  1.0 3.0
   82    70    73    59   0.56750  1.0 1.0
   82    70    73    59  -0.07550 -1.0 2.0
   82    70    73    59   0.20000  1.0 3.0
   82    70    73    74   0.15000  1.0 3.0
   82    70    73    75   0.15000  1.0 3.0
   82    77    79    80   0.15000  1.0 3.0
   82    77    79    81   0.15000  1.0 3.0
   82    77    79    84   0.56750  1.0 1.0
   82    77    79    84  -0.07550 -1.0 2.0
   82    77    79    84   0.20000  1.0 3.0
   82    99   105   106  -0.11600  1.0 1.0
   82    99   105   106  -0.09450 -1.0 2.0
   82    99   105   106   0.21250  1.0 3.0
  105    99    82    70   0.86500  1.0 1.0
  105    99    82    70  -0.17500 -1.0 2.0
  105    99    82    70   0.20800  1.0 3.0
  105    99    82    77   0.86500  1.0 1.0
  105    99    82    77  -0.17500 -1.0 2.0
  105    99    82    77   0.20800  1.0 3.0
  105    99    82    83   0.23400  1.0 3.0
  101    98    99   100   0.15000  1.0 3.0
  101    98    99    82   0.56750  1.0 1.0
  101    98    99    82  -0.07550 -1.0 2.0
  101    98    99    82   0.20000  1.0 3.0
  101    98    99   105   0.86500  1.0 1.0
  101    98    99   105  -0.17500 -1.0 2.0
  101    98    99   105   0.20800  1.0 3.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    92   0.34400  1.0 1.0
   88    84    86    92   0.09450 -1.0 2.0
   88    84    86    92   0.11100  1.0 3.0
   88    84    86    98   0.56750  1.0 1.0
   88    84    86    98  -0.07550 -1.0 2.0
   88    84    86    98   0.20000  1.0 3.0
   73    59    61    62   0.15000  1.0 3.0
   73    59    61    63   0.15000  1.0 3.0
   73    59   -61    64  -0.95700  1.0 1.0
   73    59   -61    64  -0.18200 -1.0 2.0
   73    59   -61    64   0.29450  1.0 3.0
   73    70    71    72   0.30150 -1.0 2.0
   73    70    71    76   0.36750  1.0 3.0
   73    70    82    77   0.56750  1.0 1.0
   73    70    82    77  -0.07550 -1.0 2.0
   73    70    82    77   0.20000  1.0 3.0
   73    70    82    99   0.56750  1.0 1.0
   73    70    82    99  -0.07550 -1.0 2.0
   73    70    82    99   0.20000  1.0 3.0
   73    70    82    83   0.15000  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.56750  1.0 1.0
   55    51    53    59  -0.07550 -1.0 2.0
   55    51    53    59   0.20000  1.0 3.0
   55    51    53    66   0.56750  1.0 1.0
   55    51    53    66  -0.07550 -1.0 2.0
   55    51    53    66   0.20000  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   61    66    64    65  10.50000 -1.0 2.0
   70    76    71    72  10.50000 -1.0 2.0
   86    93    92    94   1.10000 -1.0 2.0
   96    95    94    92   1.10000 -1.0 2.0
   94    98    96    97  10.50000 -1.0 2.0
END
