* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    203    339     619
    1     0 S   NP   _N1_     1    28.63514    95.19693   -21.81323
    2     1 S   H    _HN1     2     1.02959    86.48922    21.10222
    3     1 S   H    _H1_     3     1.02836    32.20139   151.64336
    4     1 S   H    _H2_     4     1.02781    92.09729   -87.11817
    5     1 S   CT   _CA1     5     1.50122   142.61109   140.74840
    6     5 S   HC   _HA1     6     1.09579   105.22861    65.41857
    7     5 S   CO3  _C1_     7     1.53781   112.29871   -54.72542
    8     7 S   O2Z  _O11     8     1.26349   115.03582   -46.24907
    9     7 S   O2Z  _O12     9     1.26236   114.91027   132.84062
   10     5 S   CT   _CB1    10     1.53085   107.39711  -176.78795
   11    10 S   HC   HB11    11     1.09820   109.28364   -51.35859
   12    10 S   HC   HB12    12     1.09819   110.45792    65.18326
   13    10 S   CT   _CG1    13     1.52977   112.65429  -172.51685
   14    13 S   HC   HG11    14     1.09516   110.30732   -63.15293
   15    13 S   HC   HG12    15     1.09644   110.08635    55.94900
   16    13 S   C    _CD1    16     1.51810   112.29691   176.11108
   17    16 S   O    _OE1    17     1.22726   123.21517    -8.16712
   18    16 S   N    _N2_    18     1.38561   111.68535   172.72285
   19    18 S   H    _HN2    19     1.01653   119.02666    -0.22029
   20    18 S   CT1  _CA2    20     1.46214   123.54784   179.97202
   21    20 S   HC   _HA2    21     1.09727   109.44422    -1.44659
   22    20 S   C    _C2_    22     1.53485   108.65436  -117.22297
   23    22 S   O    _O2_    23     1.23050   122.13675  -146.15838
   24    20 S   CT   _CB2    32     1.53329   111.22672   120.50539
   25    24 S   HC   HB21    33     1.09439   109.64713    56.81551
   26    24 S   HC   HB22    34     1.09519   110.54245   175.49776
   27    22 S   N    _N3_    24     1.38479   113.58803    41.26884
   28    27 S   H    _HN3    25     1.01495   118.93509    -0.75069
   29    24 S   S    _SG2    35     1.82633   111.52743   -64.94359
   30    27 S   CT   _CA3    26     1.45461   123.55686   175.30043
   31    30 S   HC   HA31    27     1.09516   109.37549    21.82000
   32    30 S   HC   HA32    28     1.09502   107.08539   138.81805
   33    29 S   CT   _C22    36     1.84943    99.59030   166.61526
   34    33 S   HC   _H3_    37     1.09911   104.93329    40.84215
   35    30 S   CO3  _C3_    29     1.52911   113.02028  -101.77168
   36    35 S   O2Z  _O31    30     1.26411   115.36114   -46.10156
   37    35 S   O2Z  _O32    31     1.26352   115.02306   134.83051
   38    33 S   CT   _C21    38     1.54676   112.71171   -74.78477
   39    38 S   HC   _H56    39     1.09604   112.14088    70.75892
   40    38 S   CT   _C17    40     1.54823   100.69657  -172.65134
   41    40 S   HC   _H52    41     1.10368   103.41973   -65.55086
   42    38 S   OS   _O35    96     1.43831   110.34386   -54.40445
   43    40 S   CM   _C7_    42     1.52080   118.27053   179.30620
   44    40 S   CT   _C23    52     1.57856   104.47974    46.01708
   45    42 S   CO4  _C9_    97     1.36255   118.26768   108.37149
   46    45 S   O    _O29    98     1.22352   126.71444     2.03134
   47    43 S   CM   _C4_    43     1.44809   117.26242   148.20037
   48    47 S   HC   _H35    44     1.08514   118.92709     0.57811
   49    44 S   CT   _C13    53     1.55222   109.58466  -152.05849
   50    49 S   HC   _H44    54     1.09742   110.75652    40.75945
   51    49 S   HC   _H45    55     1.09715   110.34507   -75.68040
   52    44 S   CT   _C28    92     1.56155   110.54070    90.57256
   53    52 S   HC   _H61    93     1.09305   112.95515   -56.43593
   54    52 S   HC   _H62    94     1.09545   111.85332  -177.53296
   55    52 S   HC   _H63    95     1.09598   111.28825    63.95914
   56    45 S   CT   _C27    99     1.49863   109.37605  -177.05330
   57    56 S   HC   _H58   100     1.09330   110.06908   -48.52858
   58    56 S   HC   _H59   101     1.09339   109.27271  -166.91136
   59    56 S   HC   _H60   102     1.09251   109.69219    73.32341
   60    47 S   CM   _C5_    45     1.33618   121.69889  -179.16772
   61    60 S   HC   _H36    46     1.08343   121.55269  -179.92087
   62    49 S   CT   _C10    56     1.52467   113.00656   162.63648
   63    62 S   HC   _H38    57     1.09684   109.57660    63.36055
   64    62 S   HC   _H39    58     1.09291   107.58912   176.54487
   65    60 S   CO4  _C8_    47     1.47385   120.57404     0.34435
   66    65 S   O    _O28    48     1.22644   120.67231  -179.40324
   67    62 S   CT   _C18    59     1.54737   113.76458   -58.31832
   68    67 S   HC   _H53    60     1.10088   105.46185   123.35344
   69    65 S   OS   _O30    49     1.36727   117.02302     0.86998
   70    67 S   CT   _C19    61     1.56209   111.62843     8.40609
   71    70 S   HC   _H54    62     1.09921   107.15746   -69.21476
   72    43 S   CM   _C6_    50     1.33941   126.46638   -29.06756
   73    72 S   HC   _H37    51     1.07776   126.86770    -2.11877
   74    70 S   CT   _C11    63     1.54220   110.18321   176.55315
   75    74 S   HC   _H40    64     1.09625   110.91526   -67.04667
   76    74 S   HC   _H41    65     1.09353   110.41117   174.51727
   77    33 S   CT   _C25    90     1.58899   119.14300   160.31363
   78    77 S   OM   _O27    91     1.32288   111.03580    29.42983
   79    74 S   CT   _C15    66     1.52427   111.85114    55.33419
   80    79 S   HC   _H48    67     1.09537   108.60222    66.25633
   81    79 S   HC   _H49    68     1.09787   107.62533  -178.78905
   82    79 S   CT   _C26    69     1.54026   112.79093   -57.59562
   83    82 S   CT   _C16    70     1.54360   109.53878  -179.60042
   84    83 S   HC   _H50    71     1.09811   110.42489   163.88596
   85    83 S   HC   _H51    72     1.09908   110.14818    50.77056
   86    82 S   OH   _O34    88     1.43617   107.30371   -63.89572
   87    86 S   HO   _H68    89     0.97224   108.13034   -56.99845
   88    83 S   CT   _C20    73     1.52528   113.52042   -72.18250
   89    88 S   HC   _H55    74     1.09537   109.94656    69.90431
   90    88 S   CT   _C12    75     1.52407   111.80009   -52.44242
   91    90 S   HC   _H42    76     1.09693   110.00882   -70.78968
   92    90 S   HC   _H43    77     1.09732   109.33376   174.46006
   93    88 S   OH   _O33    86     1.42513   108.46487  -173.27921
   94    93 S   HO   _H67    87     0.97246   107.54451  -180.00000
   95    90 S   CT   _C14    78     1.52898   112.30200    52.72526
   96    95 S   HC   _H46    79     1.09534   108.06744    68.21341
   97    95 S   HC   _H47    80     1.09551   107.74155  -177.86155
   98    67 S   CT   _C24    81     1.58578   113.66401  -121.88888
   99    98 S   CT   _C29    82     1.55890   107.62177   -60.50164
  100    99 S   HC   _H64    83     1.09574   111.34020   -51.23848
  101    99 S   HC   _H65    84     1.09329   112.57795  -171.49873
  102    99 S   HC   _H66    85     1.09434   111.98837    68.86754
  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
  17   8   2   1   1  16   7  22   8   9  12  18   5   4   8   4
  15   7   6   7   3   2   1   3   2   1   1   5   3  12   5   4
   4   2  21   8   2  13   7   1   1  11   6   5   3   1  12   5
   4  17  14   7   6   5   1  10   6   9   6   5   2   1   7   3
   2   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    70    77    78    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    49    67    70    71    74    77    78    52    42    45  
   38    39    40    44    70    77    78    42  
   36    37  
   37  
    0  
   39    40    41    43    47    72    44    49    70    77    78    52    42    45    46    56  
   40    41    43    44    77    42    45  
   41    43    47    48    60    69    72    73    44    49    50    51    62    70    77    78    52    53    54    55    42    45  
   43    47    72    44    49    77    52    42  
   45    46    56    57    58    59    43    44    77  
   47    48    60    61    65    69    72    73    44    49    77    52  
   49    50    51    62    63    64    67    70    71    74    77    78    52    53    54    55    47    72  
   46    56    57    58    59  
   56    57    58    59  
   48    60    61    65    66    69    72    73  
   60    61    65    72  
   50    51    62    63    64    67    68    70    98    77    78    52    53    54    55  
   51    62    63    64    67    77    52  
   62    63    64    67    77    52  
   53    54    55    62    70    77    78  
   54    55    77  
   55    77  
   77  
   57    58    59  
   58    59  
   59  
    0  
   61    65    66    69    72  
   65    66    69  
   63    64    67    68    70    71    74    82    95    98    99    77  
   64    67    68    70    98  
   67    68    70    98  
   66    69    72    73  
   69    72  
   68    70    71    74    75    76    79    82    83    90    95    96    97    98    99   100   101   102    86    77    78  
   70    71    74    82    95    98    99    77  
   72    73  
   71    74    75    76    79    80    81    82    95    98    99    77    78  
   74    75    76    79    98    77    78  
   73  
    0  
   75    76    79    80    81    82    83    98    86    77    78  
   76    79    80    81    82    77  
   79    80    81    82    77  
   78    79    98  
    0  
   80    81    82    83    84    85    88    95    98    99    86    87  
   81    82    83    98    86  
   82    83    98    86  
   83    84    85    88    89    90    95    96    97    98    99   100   101   102    93    86    87  
   84    85    88    89    90    91    92    95    98    99    93    94    86    87  
   85    88    89    90    98    93    86  
   88    89    90    98    93    86  
   87    88    95    98    99  
   98  
   89    90    91    92    95    96    97    98    93    94  
   90    91    92    95    93    94  
   91    92    95    96    97    98    99    93    94  
   92    95    96    97    98    93  
   95    96    97    98    93  
   94    95  
    0  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    77   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    44   268.000  1.529
   43    47   380.000  1.444
   43    72   549.000  1.340
   47    48   340.000  1.080
   47    60   549.000  1.340
   60    61   340.000  1.080
   60    65   320.000  1.462
   65    66   570.000  1.229
   65    69   214.000  1.327
   69    72   440.000  1.360
   72    73   340.000  1.080
   44    49   268.000  1.529
   44    77   268.000  1.529
   44    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    98   268.000  1.529
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   268.000  1.529
   82    98   268.000  1.529
   82    86   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   268.000  1.529
   88    89   340.000  1.090
   88    90   268.000  1.529
   88    93   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   93    94   553.000  0.945
   86    87   553.000  0.945
   77    78   570.000  1.307
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   42    45   214.000  1.327
   45    46   570.000  1.229
   45    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    77    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    77    44    58.35000  112.70000
   33    77    70    58.35000  112.70000
   33    77    78    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    70.00000  112.02700
   38    40    44    58.35000  112.70000
   38    42    45    83.00000  116.90000
   40    38    39    37.50000  110.70000
   40    43    47    70.00000  124.00000
   40    43    72    70.00000  124.00000
   40    44    49    58.35000  112.70000
   40    44    77    58.35000  112.70000
   40    44    52    58.35000  112.70000
   43    40    41    35.00000  109.50000
   43    47    48    35.00000  120.00000
   43    47    60    70.00000  123.01800
   43    72    69    80.00000  120.01400
   43    72    73    35.00000  120.00000
   47    60    61    35.00000  120.00000
   47    60    65    65.00000  118.96000
   60    47    48    35.00000  120.00000
   60    65    66    80.00000  123.72100
   60    65    69    90.00000  111.29400
   65    60    61    40.00000  117.72500
   65    69    72    90.00000  114.22900
   69    65    66    83.00000  123.40000
   69    72    73    55.00000  109.52600
   72    43    47    70.00000  123.01800
   44    40    41    37.50000  110.70000
   44    40    43    70.00000  112.02700
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    62    58.35000  112.70000
   44    77    70    58.35000  112.70000
   44    77    78    50.00000  109.50000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   49    62    63    37.50000  110.70000
   49    62    64    37.50000  110.70000
   49    62    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   62    49    50    37.50000  110.70000
   62    49    51    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    70    58.35000  112.70000
   62    67    98    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    70    77    58.35000  112.70000
   67    98    82    58.35000  112.70000
   67    98    95    58.35000  112.70000
   67    98    99    58.35000  112.70000
   70    67    68    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    79    58.35000  112.70000
   70    77    78    50.00000  109.50000
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    82    83    58.35000  112.70000
   79    82    98    58.35000  112.70000
   79    82    86    50.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    85    37.50000  110.70000
   82    83    88    58.35000  112.70000
   82    98    95    58.35000  112.70000
   82    98    99    58.35000  112.70000
   82    86    87    55.00000  108.50000
   83    88    89    37.50000  110.70000
   83    88    90    58.35000  112.70000
   83    88    93    50.00000  109.50000
   85    83    84    33.00000  107.80000
   88    83    84    37.50000  110.70000
   88    83    85    37.50000  110.70000
   88    90    91    37.50000  110.70000
   88    90    92    37.50000  110.70000
   88    90    95    58.35000  112.70000
   88    93    94    55.00000  108.50000
   90    88    89    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    58.35000  112.70000
   92    90    91    33.00000  107.80000
   95    90    91    37.50000  110.70000
   95    90    92    37.50000  110.70000
   95    98    99    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    67    68    37.50000  110.70000
   98    67    70    58.35000  112.70000
   98    82    83    58.35000  112.70000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98    99   100    37.50000  110.70000
   98    99   101    37.50000  110.70000
   98    99   102    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   93    88    89    35.00000  109.50000
   93    88    90    50.00000  109.50000
   86    82    83    50.00000  109.50000
   86    82    98    50.00000  109.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    44    49    58.35000  112.70000
   77    70    71    37.50000  110.70000
   77    70    74    58.35000  112.70000
   52    44    49    58.35000  112.70000
   52    44    77    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    45    46    83.00000  123.40000
   42    45    56    81.00000  111.40000
   45    56    57    35.00000  109.50000
   45    56    58    35.00000  109.50000
   45    56    59    35.00000  109.50000
   56    45    46    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
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   97    95    98    82   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   98    67    70    71   0.15000  1.0 3.0
   98    67   -70    74   0.56750  1.0 1.0
   98    67   -70    74  -0.07550 -1.0 2.0
   98    67   -70    74   0.20000  1.0 3.0
   98    67    70    77   0.56750  1.0 1.0
   98    67    70    77  -0.07550 -1.0 2.0
   98    67    70    77   0.20000  1.0 3.0
   98    82    83    84   0.15000  1.0 3.0
   98    82    83    85   0.15000  1.0 3.0
   98    82   -83    88   0.56750  1.0 1.0
   98    82   -83    88  -0.07550 -1.0 2.0
   98    82   -83    88   0.20000  1.0 3.0
   98    82    86    87  -0.11600  1.0 1.0
   98    82    86    87  -0.09450 -1.0 2.0
   98    82    86    87   0.21250  1.0 3.0
   93    88    90    91   0.23400  1.0 3.0
   93    88    90    92   0.23400  1.0 3.0
   93    88    90    95   0.86500  1.0 1.0
   93    88    90    95  -0.17500 -1.0 2.0
   93    88    90    95   0.20800  1.0 3.0
   86    82    83    84   0.23400  1.0 3.0
   86    82    83    85   0.23400  1.0 3.0
   86    82    83    88   0.86500  1.0 1.0
   86    82    83    88  -0.17500 -1.0 2.0
   86    82    83    88   0.20800  1.0 3.0
   86    82    98    67   0.86500  1.0 1.0
   86    82    98    67  -0.17500 -1.0 2.0
   86    82    98    67   0.20800  1.0 3.0
   86    82    98    95   0.86500  1.0 1.0
   86    82    98    95  -0.17500 -1.0 2.0
   86    82    98    95   0.20800  1.0 3.0
   86    82    98    99   0.86500  1.0 1.0
   86    82    98    99  -0.17500 -1.0 2.0
   86    82    98    99   0.20800  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33   -38    40   0.56750  1.0 1.0
   77    33   -38    40  -0.07550 -1.0 2.0
   77    33   -38    40   0.20000  1.0 3.0
   77    33    38    42   0.62750  1.0 1.0
   77    33    38    42  -0.30950 -1.0 2.0
   77    33    38    42   0.27300  1.0 3.0
   77    44    49    50   0.15000  1.0 3.0
   77    44    49    51   0.15000  1.0 3.0
   77    44   -49    62   0.56750  1.0 1.0
   77    44   -49    62  -0.07550 -1.0 2.0
   77    44   -49    62   0.20000  1.0 3.0
   77    44    52    53   0.15000  1.0 3.0
   77    44    52    54   0.15000  1.0 3.0
   77    44    52    55   0.15000  1.0 3.0
   77    70    74    75   0.15000  1.0 3.0
   77    70    74    76   0.15000  1.0 3.0
   77    70    74    79   0.56750  1.0 1.0
   77    70    74    79  -0.07550 -1.0 2.0
   77    70    74    79   0.20000  1.0 3.0
   52    44    49    50   0.15000  1.0 3.0
   52    44    49    51   0.15000  1.0 3.0
   52    44    49    62   0.56750  1.0 1.0
   52    44    49    62  -0.07550 -1.0 2.0
   52    44    49    62   0.20000  1.0 3.0
   52    44    77    33   0.56750  1.0 1.0
   52    44    77    33  -0.07550 -1.0 2.0
   52    44    77    33   0.20000  1.0 3.0
   52    44    77    70   0.56750  1.0 1.0
   52    44    77    70  -0.07550 -1.0 2.0
   52    44    77    70   0.20000  1.0 3.0
   52    44    77    78   0.62750  1.0 1.0
   52    44    77    78  -0.30950 -1.0 2.0
   52    44    77    78   0.27300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.61850  1.0 1.0
   42    38    40    43  -0.22750 -1.0 2.0
   42    38    40    43   0.15300  1.0 3.0
   42    38    40    44   0.62750  1.0 1.0
   42    38    40    44  -0.30950 -1.0 2.0
   42    38    40    44   0.27300  1.0 3.0
   42    45    56    57   0.00000  1.0 1.0
   42    45    56    58   0.00000  1.0 1.0
   42    45    56    59   0.00000  1.0 1.0
   46    45    56    57   0.00000  1.0 1.0
   46    45    56    58   0.00000  1.0 1.0
   46    45    56    59   0.00000  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   40    47    43    72   1.10000 -1.0 2.0
   43    48    47    60   1.10000 -1.0 2.0
   65    61    60    47   1.10000 -1.0 2.0
   60    69    65    66  10.50000 -1.0 2.0
   69    73    72    43   1.10000 -1.0 2.0
   42    56    45    46  10.50000 -1.0 2.0
END
