* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    206    336     622
    1     0 S   NP   _N1_     1    29.49189    98.86290   -24.79831
    2     1 S   H    _HN1     2     1.02954    58.29474    35.76168
    3     1 S   H    _H1_     3     1.02831    54.99008  -175.55979
    4     1 S   H    _H2_     4     1.02782    99.23526   -70.14102
    5     1 S   CT   _CA1     5     1.50081   148.52419   112.86157
    6     5 S   HC   _HA1     6     1.09572   105.26274   115.46442
    7     5 S   CO3  _C1_     7     1.53784   112.39984    -4.84873
    8     7 S   O2Z  _O11     8     1.26357   115.03063   -44.73519
    9     7 S   O2Z  _O12     9     1.26240   114.96799   134.60589
   10     5 S   CT   _CB1    10     1.53098   107.44474  -126.54931
   11    10 S   HC   HB11    11     1.09822   109.44752   -50.45599
   12    10 S   HC   HB12    12     1.09818   110.41805    66.16785
   13    10 S   CT   _CG1    13     1.52951   112.53778  -171.50299
   14    13 S   HC   HG11    14     1.09601   110.46334   -62.73847
   15    13 S   HC   HG12    15     1.09657   109.95891    56.45434
   16    13 S   C    _CD1    16     1.51784   112.39382   176.92120
   17    16 S   O    _OE1    17     1.22706   123.37187    -1.26393
   18    16 S   N    _N2_    18     1.38590   111.47004   178.69659
   19    18 S   H    _HN2    19     1.01593   118.91358     2.18642
   20    18 S   CT1  _CA2    20     1.46241   123.57340  -179.61235
   21    20 S   HC   _HA2    21     1.09728   109.47926    -6.24592
   22    20 S   C    _C2_    22     1.53414   108.45552  -121.86322
   23    22 S   O    _O2_    23     1.23034   122.36641  -148.21897
   24    20 S   CT   _CB2    32     1.53401   111.01780   115.89676
   25    24 S   HC   HB21    33     1.09375   109.25669    54.71001
   26    24 S   HC   HB22    34     1.09497   110.57116   173.29279
   27    22 S   N    _N3_    24     1.38361   113.51889    39.30683
   28    27 S   H    _HN3    25     1.01632   119.50100    -3.60065
   29    24 S   S    _SG2    35     1.83073   111.05336   -67.63371
   30    27 S   CT   _CA3    26     1.45288   123.14515   176.96927
   31    30 S   HC   HA31    27     1.09551   107.51822   -64.03201
   32    30 S   HC   HA32    28     1.09558   107.95819    52.38016
   33    29 S   CT   _C17    36     1.85879   102.18157   154.82874
   34    30 S   CO3  _C3_    29     1.52938   114.12782   174.36233
   35    34 S   O2Z  _O31    30     1.26367   116.05811    -1.00444
   36    34 S   O2Z  _O32    31     1.26430   114.41221   179.05934
   37    33 S   CT   _C18    37     1.53414   110.62672    49.50974
   38    37 S   HC   _H20    38     1.09476   112.19835   -70.43121
   39    37 S   HC   _H21    39     1.09627   111.65035    51.21180
   40    37 S   HC   _H22    40     1.09616   111.00145   170.17919
   41    33 S   CT   _C19    41     1.53876   105.16217   167.17680
   42    41 S   HC   _H23    42     1.09661   111.84098    63.05304
   43    41 S   HC   _H24    43     1.09694   111.74111   -58.23202
   44    41 S   HC   _H25    44     1.09460   111.27208  -177.12132
   45    33 S   CT   _C16    45     1.54082   108.00643   -74.39971
   46    45 S   HC   _H18    46     1.09726   110.92133   -58.15497
   47    45 S   HC   _H19    47     1.09649   111.91147    59.18845
   48    45 S   CO4  _C15    48     1.51165   114.23346   179.34778
   49    48 S   O    _O37    49     1.22428   123.56659   -87.02734
   50    48 S   OS   _O36    50     1.36366   110.29581    92.76689
   51    50 S   CT   _C13    51     1.43662   117.28443   178.47069
   52    51 S   HC   _H7_    52     1.09186   109.80726   -30.65984
   53    51 S   CO4  _C14    53     1.52193   109.25449    86.09919
   54    53 S   O    _O34    54     1.22760   122.95503   -27.16279
   55    51 S   CT   _C12    78     1.51721   108.46815  -154.21434
   56    55 S   HC   _H6_    79     1.10480   105.77066   -55.31334
   57    53 S   OS   _O35    55     1.35743   115.90906   158.70062
   58    59 S   CT   _C9_    80     1.52599   112.29195    40.16560
   59    57 S   CT   _C8_    56     1.46019   123.53551   -34.75101
   60    59 S   HC   _H5_    57     1.09740   105.43875   -80.45600
   61    58 S   CT   _C10    81     1.53320   114.95933  -155.75056
   62    61 S   HC   _H16    82     1.08748   115.88730   -89.54743
   63    61 S   HC   _H17    83     1.09633   112.10021    34.21300
   64    59 S   CT   _C7_    58     1.52888   106.03375   165.14205
   65    64 S   HC   _H14    59     1.09426   110.59465   166.74675
   66    64 S   HC   _H15    60     1.09507   107.25918    50.81593
   67    96 S   OS   _O33    84     1.46281   106.54235   -53.26672
   68    64 S   CT   _C6_    61     1.54020   111.13481   -69.15689
   69    68 S   HC   _H4_    62     1.10237   106.77737    53.90420
   70    68 S   CT   _C5_    63     1.54883   113.86815   169.79702
   71    70 S   HC   _H3_    64     1.09553   110.70084    64.56762
   72    70 S   CO4  _C26    65     1.52976   109.51440  -177.45940
   73    72 S   O    _O38    66     1.23155   122.61302   154.32213
   74    70 S   CT   _C4_   102     1.53307   112.86129   -55.78436
   75    74 S   HC   _H11   103     1.09543   111.19555   -53.76520
   76    74 S   HC   _H12   104     1.09572   111.30586  -173.57932
   77    74 S   HC   _H13   105     1.09370   111.55077    67.63479
   78    72 S   CM   _C25    67     1.48930   118.88381   -28.60205
   79    78 S   CM   _C24    68     1.33865   120.87933     0.34378
   80    79 S   HC   _H26    69     1.08674   117.01908  -175.67292
   81    78 S   OH   _O39   100     1.37954   118.15956  -177.48464
   82    81 S   HO   _H27   101     0.97460   106.72053    -0.61707
   83    68 S   CT   _C23    70     1.57154   110.77205   -62.29580
   84    83 S   CT   _C22    71     1.59427   107.23580    59.75732
   85    84 S   HC   _H10    72     1.09937   103.15385    61.72342
   86    83 S   CT   _C27    96     1.54662   111.04443   -66.85885
   87    86 S   HC   _H28    97     1.08974   113.13904    59.40153
   88    86 S   HC   _H29    98     1.09645   111.75126   -59.97354
   89    86 S   HC   _H30    99     1.09219   112.78762  -177.34436
   90    84 S   CT   _C21    73     1.56819   116.80825   174.53984
   91    90 S   HC   _H9_    74     1.09544   108.62071   -64.89933
   92    90 S   CT   _C20    75     1.54724   112.65905   174.78425
   93    92 S   HC   _H8_    76     1.09760   109.42950  -160.65332
   94    90 S   OH   _O40    94     1.42193   111.56467    52.38162
   95    94 S   HO   _H31    95     0.97236   108.08987  -175.71705
   96    92 S   CT   _C11    77     1.54170   111.68545   -40.24612
   97    92 S   OH   _O41    92     1.42466   108.81796    82.49446
   98    97 S   HO   _H32    93     0.97267   107.82017    64.50722
   99    96 S   CO4  _C28    85     1.52676   114.66758  -167.65410
  100    99 S   O    _O42    86     1.22620   124.00423   135.85808
  101    99 S   OS   _O43    87     1.36256   111.28650   -44.98160
  102   101 S   CT   _C29    88     1.43149   115.40539   177.66376
  103   102 S   HC   _H33    89     1.09326   108.07180  -179.54030
  104   102 S   HC   _H34    90     1.09417   110.36563    61.73912
  105   102 S   HC   _H35    91     1.09398   110.15831   -60.88535
  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
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2   9  14   7   9   3  21   8   9  21  16   6  11   4   3  12
   5   4   9  20   8  13   8  11   4   5   2   1   1   7  11   4
   2   1  10  13   5   4   2   1   1   9   6   9   5   3   1   6
   2   1   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    55  
   50    51  
   51    52    53    54    57    96    55    56    58  
   52    53    54    57    59    84    92    96    55    56    58    61    67    99  
   53    54    57    96    55    56    58  
   54    57    59    60    64    96    55    56    58  
   57    59    55  
   56    58    61    62    63    67    99   100   101    97    57    59    60    64    83    84    85    90    92    93    96  
   58    61    67    99    59    84    92    96  
   59    60    64    65    66    68    84    58    61  
   61    62    63    67    99    94    86    59    60    64    65    66    68    79    83    84    85    90    91    92    96  
   60    64    65    66    68    69    70    83    84    85    90    96    61    62    63    67  
   64    65    66    68    84    61  
   62    63    67    99    64    83    84    85    90    92    96  
   63    67    84    96  
   67    84    96  
   65    66    68    69    70    71    72    79    83    84    86    74  
   66    68    69    70    83  
   68    69    70    83  
   99   100   101    97    84    90    92    93    96  
   69    70    71    72    73    78    79    80    83    84    85    90    86    87    88    89    74    75    76    77  
   70    71    72    79    83    84    86    74  
   71    72    73    78    79    83    84    86    81    74    75    76    77  
   72    73    78    83    74    75    76    77  
   73    78    79    80    83    81    82    74    75    76    77  
   78    79    81    74  
   75    76    77    78    83  
   76    77  
   77  
    0  
   79    80    83    84    86    81    82  
   80    83    84    85    90    86    87    88    89    81    82  
   83    84    86    81  
   82    83  
    0  
   84    85    90    91    92    94    86    87    88    89  
   85    90    91    92    93    96    97    94    95    86    87    88    89  
   90    91    92    94    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    96    99    97    98    94    95  
   92    93    96    97    94    95  
   93    96    99   100   101    97    98    94    95  
   96    99    97    98    94  
   95    96    97  
    0  
   99   100   101   102    97    98  
   98    99  
    0  
  100   101   102   103   104   105  
  101   102  
  102   103   104   105  
  103   104   105  
  104   105  
  105  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  102   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.030000   1.3810   1.2100   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    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    57   214.000  1.327
   57    59   320.000  1.410
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    58   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    83   268.000  1.529
   70    71   340.000  1.090
   70    72   317.000  1.522
   70    74   268.000  1.529
   72    73   570.000  1.229
   72    78   320.000  1.462
   78    79   549.000  1.340
   78    81   510.000  1.338
   79    80   340.000  1.080
   79    83   317.000  1.510
   83    84   268.000  1.529
   83    86   268.000  1.529
   84    85   340.000  1.090
   84    90   268.000  1.529
   84    58   268.000  1.529
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    94   320.000  1.410
   92    93   340.000  1.090
   92    96   268.000  1.529
   92    97   320.000  1.410
   96    55   268.000  1.529
   96    67   320.000  1.410
   96    99   317.000  1.522
   55    56   340.000  1.090
   55    58   268.000  1.529
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   99   100   570.000  1.229
   99   101   214.000  1.327
  101   102   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   97    98   553.000  0.945
   94    95   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   81    82   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    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    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    90.00000  108.74100
   50    51    55    50.00000  109.50000
   51    53    54    80.00000  120.40000
   51    53    57    81.00000  111.40000
   51    55    96    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    58    58.35000  112.70000
   53    51    52    35.00000  109.50000
   53    57    59    83.00000  116.90000
   57    53    54    83.00000  123.40000
   57    59    60    35.00000  109.50000
   57    59    64    50.00000  109.50000
   57    59    58    50.00000  109.50000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    68    58.35000  112.70000
   59    58    84    58.35000  112.70000
   59    58    55    58.35000  112.70000
   59    58    61    58.35000  112.70000
   64    59    60    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    58.35000  112.70000
   64    68    83    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    63.00000  111.10000
   68    70    74    58.35000  112.70000
   68    83    79    70.00000  112.02700
   68    83    84    58.35000  112.70000
   68    83    86    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    72    73    80.00000  120.40000
   70    72    78    65.00000  118.62400
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   72    70    71    35.00000  109.50000
   72    78    79    65.00000  118.96000
   72    78    81    85.00000  116.28000
   78    72    73    80.00000  123.72100
   78    79    80    35.00000  120.00000
   78    79    83    70.00000  124.00000
   78    81    82    70.00000  107.45700
   79    83    84    70.00000  112.02700
   79    83    86    70.00000  112.02700
   83    68    69    37.50000  110.70000
   83    68    70    58.35000  112.70000
   83    79    80    35.00000  117.00000
   83    84    85    37.50000  110.70000
   83    84    90    58.35000  112.70000
   83    84    58    58.35000  112.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    58.35000  112.70000
   84    90    94    50.00000  109.50000
   84    58    55    58.35000  112.70000
   84    58    61    58.35000  112.70000
   90    84    85    37.50000  110.70000
   90    92    93    37.50000  110.70000
   90    92    96    58.35000  112.70000
   90    92    97    50.00000  109.50000
   90    94    95    55.00000  108.50000
   92    90    91    37.50000  110.70000
   92    96    55    58.35000  112.70000
   92    96    67    50.00000  109.50000
   92    96    99    63.00000  111.10000
   92    97    98    55.00000  108.50000
   96    92    93    37.50000  110.70000
   96    55    56    37.50000  110.70000
   96    55    58    58.35000  112.70000
   96    67    61    60.00000  109.50000
   96    99   100    80.00000  120.40000
   96    99   101    81.00000  111.40000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    58    61    58.35000  112.70000
   58    59    60    37.50000  110.70000
   58    59    64    58.35000  112.70000
   58    84    85    37.50000  110.70000
   58    84    90    58.35000  112.70000
   58    55    56    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    67    50.00000  109.50000
   63    61    62    33.00000  107.80000
   67    96    55    50.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   99    96    55    63.00000  111.10000
   99    96    67    90.00000  108.74100
   99   101   102    83.00000  116.90000
  101    99   100    83.00000  123.40000
  101   102   103    35.00000  109.50000
  101   102   104    35.00000  109.50000
  101   102   105    35.00000  109.50000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    96    50.00000  109.50000
   94    90    91    35.00000  109.50000
   94    90    92    50.00000  109.50000
   86    83    84    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   81    78    79    80.00000  121.38400
   74    70    71    37.50000  110.70000
   74    70    72    63.00000  111.10000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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
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   96    55    58    59  -0.07550 -1.0 2.0
   96    55    58    59   0.20000  1.0 3.0
   96    55   -58    84   0.56750  1.0 1.0
   96    55   -58    84  -0.07550 -1.0 2.0
   96    55   -58    84   0.20000  1.0 3.0
   96    55   -58    61   0.56750  1.0 1.0
   96    55   -58    61  -0.07550 -1.0 2.0
   96    55   -58    61   0.20000  1.0 3.0
   96    99   101   102   1.63150  1.0 1.0
   96    99   101   102   2.92000 -1.0 2.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51   -53    57   0.36750  1.0 3.0
   55    96   -67    61   0.06250  1.0 1.0
   55    96   -67    61  -0.01100 -1.0 2.0
   55    96   -67    61   0.28050  1.0 3.0
   55    96    99   100   0.30150 -1.0 2.0
   55    96    99   101   0.36750  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58   -61    67   0.62750  1.0 1.0
   55    58   -61    67  -0.30950 -1.0 2.0
   55    58   -61    67   0.27300  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    84   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   58    59    64    65   0.15000  1.0 3.0
   58    59    64    66   0.15000  1.0 3.0
   58    59   -64    68   0.56750  1.0 1.0
   58    59   -64    68  -0.07550 -1.0 2.0
   58    59   -64    68   0.20000  1.0 3.0
   58    84    90    91   0.15000  1.0 3.0
   58    84   -90    92   0.56750  1.0 1.0
   58    84   -90    92  -0.07550 -1.0 2.0
   58    84   -90    92   0.20000  1.0 3.0
   58    84    90    94   0.86500  1.0 1.0
   58    84    90    94  -0.17500 -1.0 2.0
   58    84    90    94   0.20800  1.0 3.0
   58    61   -67    96   0.06250  1.0 1.0
   58    61   -67    96  -0.01100 -1.0 2.0
   58    61   -67    96   0.28050  1.0 3.0
   62    61    67    96   0.37050  1.0 3.0
   63    61    67    96   0.37050  1.0 3.0
   67    96    55    51   0.62750  1.0 1.0
   67    96    55    51  -0.30950 -1.0 2.0
   67    96    55    51   0.27300  1.0 3.0
   67    96    55    56   0.23400  1.0 3.0
   67    96   -55    58   0.62750  1.0 1.0
   67    96   -55    58  -0.30950 -1.0 2.0
   67    96   -55    58   0.27300  1.0 3.0
   67    96    99   100   0.30150 -1.0 2.0
   67    96    99   101   0.40000  1.0 3.0
   99    96    55    51  -0.95700  1.0 1.0
   99    96    55    51  -0.18200 -1.0 2.0
   99    96    55    51   0.29450  1.0 3.0
   99    96    55    56  -0.11250  1.0 3.0
   99    96    55    58  -0.95700  1.0 1.0
   99    96    55    58  -0.18200 -1.0 2.0
   99    96    55    58   0.29450  1.0 3.0
   99    96    67    61  -1.11000  1.0 1.0
   99    96    67    61   0.50250 -1.0 2.0
   99    96    67    61   0.47450  1.0 3.0
   99   101   102   103   0.08050  1.0 3.0
   99   101   102   104   0.08050  1.0 3.0
   99   101   102   105   0.08050  1.0 3.0
  100    99   101   102   3.00000 -1.0 2.0
   97    92    96    55   0.86500  1.0 1.0
   97    92    96    55  -0.17500 -1.0 2.0
   97    92    96    55   0.20800  1.0 3.0
   97    92    96    67   3.69350  1.0 1.0
   97    92    96    67  -1.82950 -1.0 2.0
   97    92    96    99  -0.09450  1.0 1.0
   97    92    96    99  -1.12950 -1.0 2.0
   97    92    96    99   0.54000  1.0 3.0
   94    90    92    93   0.23400  1.0 3.0
   94    90    92    96   0.86500  1.0 1.0
   94    90    92    96  -0.17500 -1.0 2.0
   94    90    92    96   0.20800  1.0 3.0
   94    90    92    97   3.75450  1.0 1.0
   86    83    84    85   0.15000  1.0 3.0
   86    83    84    90   0.56750  1.0 1.0
   86    83    84    90  -0.07550 -1.0 2.0
   86    83    84    90   0.20000  1.0 3.0
   86    83    84    58   0.56750  1.0 1.0
   86    83    84    58  -0.07550 -1.0 2.0
   86    83    84    58   0.20000  1.0 3.0
   81    78    79    80   7.00000 -1.0 2.0
   81    78    79    83   7.00000 -1.0 2.0
   74    70    72    73   0.30150 -1.0 2.0
   74    70    72    78   0.65300  1.0 1.0
   74    70    72    78  -0.03850 -1.0 2.0
   74    70    72    78   0.33900  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
   45    50    48    49  10.50000 -1.0 2.0
   51    57    53    54  10.50000 -1.0 2.0
   70    78    72    73  10.50000 -1.0 2.0
   72    81    78    79   1.10000 -1.0 2.0
   83    80    79    78   1.10000 -1.0 2.0
   96   101    99   100  10.50000 -1.0 2.0
END
