* LIGAND DATABASE FILE (OPLS2005)
*
001     102   107    203    333     605
    1     0 S   NP   _N1_     1    29.42104    92.38489   -16.96405
    2     1 S   H    _HN1     2     1.02744    85.68787   -43.62025
    3     1 S   H    _H1_     3     1.03254   119.07438    64.49714
    4     1 S   H    _H2_     4     1.02786    22.67713   126.05388
    5     1 S   CT   _CA1     5     1.50142   117.86103  -156.73872
    6     5 S   HC   _HA1     6     1.09594   104.93990    37.74442
    7     5 S   CO3  _C1_     7     1.53753   112.83502   -81.68344
    8     7 S   O2Z  _O11     8     1.26291   115.10595   -34.01670
    9     7 S   O2Z  _O12     9     1.26283   114.88081   144.68215
   10     5 S   CT   _CB1    10     1.53083   107.30446   155.28556
   11    10 S   HC   HB11    11     1.09775   108.81566   -49.67011
   12    10 S   HC   HB12    12     1.09839   110.46258    66.43340
   13    10 S   CT   _CG1    13     1.53180   113.00447  -171.41684
   14    13 S   HC   HG11    14     1.09479   109.99276   -70.48072
   15    13 S   HC   HG12    15     1.09625   110.55893    48.28584
   16    13 S   C    _CD1    16     1.51848   111.37292   166.93533
   17    16 S   O    _OE1    17     1.22895   122.13866   -41.47476
   18    16 S   N    _N2_    18     1.38494   113.04257   140.11529
   19    18 S   H    _HN2    19     1.01582   119.35408    -0.17246
   20    18 S   CT1  _CA2    20     1.46495   123.09328  -179.04243
   21    20 S   HC   _HA2    21     1.09744   109.16550   -17.45387
   22    20 S   C    _C2_    22     1.53369   108.34812  -133.09480
   23    22 S   O    _O2_    23     1.23005   122.31622  -146.15449
   24    20 S   CT   _CB2    32     1.53592   111.73085   104.49851
   25    24 S   HC   HB21    33     1.09531   109.39585    57.59137
   26    24 S   HC   HB22    34     1.09491   110.71123   176.42237
   27    22 S   N    _N3_    24     1.38542   113.30741    41.25660
   28    27 S   H    _HN3    25     1.01536   118.89487    -0.60133
   29    24 S   S    _SG2    35     1.82592   111.35581   -63.52455
   30    27 S   CT   _CA3    26     1.45429   123.34330   175.13977
   31    30 S   HC   HA31    27     1.09533   109.07091    27.26400
   32    30 S   HC   HA32    28     1.09491   107.15553   144.24043
   33    29 S   CT   _C14    36     1.87180   100.04534   164.47156
   34    33 S   HC   _H10    37     1.09816   106.37769   -21.79790
   35    30 S   CO3  _C3_    29     1.52936   113.26951   -96.09927
   36    35 S   O2Z  _O31    30     1.26390   115.49083   -42.80320
   37    35 S   O2Z  _O32    31     1.26369   114.92901   138.15968
   38    33 S   CT   _C13    38     1.56900   107.52159    95.06604
   39    38 S   OM   _O36    39     1.32380   110.04730  -163.04036
   40    38 S   HC   _H9_    40     1.10284   106.42523   -38.30948
   41    33 S   CT   _C15    51     1.58435   110.53037  -139.47203
   42    38 S   CT   _C12    41     1.55501   111.44946    74.94429
   43    42 S   HC   _H8_    42     1.10005   104.08062   -79.51420
   44    41 S   CM   _C16    52     1.55656   116.55983    56.50283
   45    41 S   CT   _C19    93     1.56719   108.30250   169.39967
   46    45 S   HC   _H20    94     1.08888   114.22238    69.28408
   47    45 S   HC   _H21    95     1.09812   110.42217   -51.37456
   48    45 S   HC   _H22    96     1.09589   113.43859  -170.00155
   49    42 S   CT   _C11    43     1.54566   119.97219    37.32631
   50    44 S   CM   _C17    53     1.34402   123.71182    21.97520
   51    50 S   HC   _H19    54     1.08117   123.46024    -4.66820
   52    42 S   OH   _O37   101     1.43160   111.47792   169.53347
   53    52 S   HO   _H23   102     0.97460   105.68630   -47.84090
   54    49 S   CO4  _C20    44     1.52275   119.28115    80.91033
   55    54 S   O    _O38    45     1.22058   126.89512    34.62434
   56    50 S   CO4  _C18    55     1.47196   120.94714   173.44133
   57    56 S   O    _O34    56     1.22625   120.23981   165.44655
   58    49 S   CT   _C21    97     1.55510   107.05740  -160.20290
   59    58 S   HC   _H24    98     1.09572   110.87609    67.97931
   60    58 S   HC   _H25    99     1.09641   111.02603   -51.90533
   61    58 S   HC   _H26   100     1.09474   113.38172  -170.66428
   62    54 S   OS   _O39    46     1.38780   109.16496  -147.48330
   63    56 S   OS   _O35    57     1.35539   117.24214   -16.04248
   64    62 S   CT   _C9_    47     1.43801   108.96239    -1.95585
   65    64 S   HC   _H6_    48     1.09621   107.11643   -91.27861
   66    63 S   CT   _C6_    58     1.45866   122.63412    -4.94934
   67    66 S   HC   _H4_    59     1.09854   106.77157   -80.64333
   68    49 S   CT   _C10    49     1.53593   113.48737   -35.90715
   69    68 S   HC   _H7_    50     1.09800   110.40898   -79.01320
   70    44 S   C3T  _C7_    60     1.48688   116.67590  -166.01157
   71    66 S   CT   _C5_    64     1.54558   107.56424   163.49433
   72    71 S   HC   _H3_    65     1.09588   109.93782  -175.30710
   73    64 S   C3T  _C8_    61     1.49053   113.92954   150.70956
   74    73 S   HC   _H5_    62     1.08005   113.52792    43.30209
   75    71 S   CT   _C4_    66     1.53010   110.57316    64.75175
   76    75 S   HC   _H16    67     1.09541   111.36508   -64.60922
   77    75 S   HC   _H17    68     1.09429   110.89980   177.09755
   78    75 S   HC   _H18    69     1.09437   111.20151    56.96486
   79    71 S   OS1  _O40    70     1.43219   108.66153   -53.47009
   80    70 S   O3T  _O33    63     1.43106   123.17599    74.59317
   81    79 S   CO1  _C22    71     1.43121   114.42018  -139.65802
   82    81 S   HC   _H11    72     1.09795   108.36704    54.09677
   83    81 S   CT   _C23    73     1.53397   106.83064   172.76614
   84    83 S   HC   _H12    74     1.09690   109.97360    53.67960
   85    83 S   CT   _C24    75     1.52942   111.26243   175.51079
   86    85 S   HC   _H13    76     1.09664   110.21087    74.00542
   87    83 S   OH5  _O45    91     1.43117   110.30396   -63.13364
   88    87 S   HO   _H32    92     0.97303   107.99603   -52.03852
   89    85 S   CT   _C25    77     1.53226   111.34852   -48.80009
   90    89 S   HC   _H14    78     1.09705   109.06993   -71.62556
   91    85 S   OH5  _O44    89     1.43004   109.38992  -170.23127
   92    91 S   HO   _H31    90     0.97248   108.08098    65.31143
   93    89 S   CT   _C26    79     1.53247   110.73523    49.55913
   94    93 S   HC   _H15    80     1.09836   110.93452    64.28174
   95    89 S   OH5  _O43    87     1.42575   109.64195   171.56883
   96    95 S   HO   _H30    88     0.97256   108.23356   -58.60198
   97    81 S   OS1  _O41    81     1.42635   111.63642   -67.14153
   98    93 S   CT   _C27    82     1.52963   111.57839  -174.89431
   99    98 S   HC   _H27    83     1.09502   111.00945    69.50817
  100    98 S   HC   _H28    84     1.09395   111.57063   -52.92910
  101    98 S   OH5  _O42    85     1.42515   109.00361  -171.86050
  102   101 S   HO   _H29    86     0.97243   106.99740  -178.05549
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  13   6   5  21  14   6  20   9   3   2   1
  14   9   4   4   1  11   4   6   2   7   3   2   1   8   9   8
   6  13   7   5   1   7  12   6   2   1   5   3   2   1   8   1
  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    68    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    49    64    68    69    41    44    50    70    45    46    47    48    52  
   38    39    40    42    68    41    44    45  
   36    37  
   37  
    0  
   39    40    42    43    49    54    68    41    44    45    58    52    53  
   40    42    43    49    41    52  
   42    43    49    41    52  
   44    50    51    56    66    70    73    80    45    46    47    48    58    42    49    54    62    64    65    68    69  
   43    49    54    55    62    64    68    69    58    59    60    61    52    53  
   49    54    68    58    52    53  
   50    51    56    57    63    66    67    70    73    74    80    71    45    46    47    48    49    64    68    69  
   46    47    48    49    50    64    68    69    70  
   47    48    68  
   48    68  
   68  
   54    55    62    64    65    68    69    73    58    59    60    61    52    53  
   51    56    57    63    66    70    73    80    68  
   56    57    63    70  
   53    54    58    68  
    0  
   55    62    64    65    68    69    73    58    59    60    61  
   62    64    68    58  
   57    63    66    67    70    71  
   63    66  
   59    60    61    62    64    68    69  
   60    61    68  
   61    68  
   68  
   64    65    68    69    70    73    74    80  
   66    67    70    73    80    71    72    75    79  
   65    68    69    66    70    73    74    80  
   68    69    70    73    74    80  
   67    70    73    74    80    71    72    75    76    77    78    79    81  
   70    73    80    71    72    75    79  
   69    70    73    74    80  
   73  
   73    74    80    71    72    75    79  
   72    75    76    77    78    79    81    82    83    97    73    80  
   75    76    77    78    79    81  
   74    80  
   80  
   76    77    78    79    81  
   77    78    79  
   78    79  
   79  
   81    82    83    84    85    93    97    87  
    0  
   82    83    84    85    86    89    93    94    97    98    91    87    88  
   83    84    85    93    97    87  
   84    85    86    89    90    93    97    95    91    92    87    88  
   85    86    89    97    91    87    88  
   86    89    90    93    94    97    98    95    96    91    92    87    88  
   89    90    93    95    91    92    87  
   88    89    91    97  
    0  
   90    93    94    97    98    99   100   101    95    96    91    92  
   93    94    97    98    95    96    91  
   92    93    95  
    0  
   94    97    98    99   100   101   102    95    96  
   97    98    99   100   101    95  
   96    97    98  
    0  
   98    99   100   101  
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   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    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    41   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   320.000  1.410
   49    54   317.000  1.522
   49    68   268.000  1.529
   49    58   268.000  1.529
   54    55   570.000  1.229
   54    62   214.000  1.327
   62    64   320.000  1.410
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    73   275.000  1.510
   68    69   340.000  1.090
   68    41   268.000  1.529
   41    44   317.000  1.510
   41    45   268.000  1.529
   44    50   549.000  1.340
   44    70   305.000  1.480
   50    51   340.000  1.080
   50    56   320.000  1.462
   56    57   570.000  1.229
   56    63   214.000  1.327
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    70   275.000  1.510
   66    71   268.000  1.529
   70    73   260.000  1.509
   70    80   335.000  1.432
   73    74   340.000  1.088
   73    80   335.000  1.432
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    79   335.000  1.422
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    81   370.000  1.399
   81    82   360.000  1.097
   81    83   255.000  1.525
   81    97   370.000  1.399
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   355.000  1.421
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    91   355.000  1.421
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    95   355.000  1.421
   93    94   340.000  1.090
   93    97   335.000  1.422
   93    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   355.000  1.421
  101   102   580.000  0.967
   95    96   580.000  0.967
   91    92   580.000  0.967
   87    88   580.000  0.967
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    68    58.35000  112.70000
   33    41    44    70.00000  112.02700
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    52    50.00000  109.50000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    49    54    63.00000  111.10000
   42    49    68    58.35000  112.70000
   42    49    58    58.35000  112.70000
   42    52    53    55.00000  108.50000
   49    42    43    37.50000  110.70000
   49    54    55    80.00000  120.40000
   49    54    62    81.00000  111.40000
   49    68    64    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    41    58.35000  112.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    61    37.50000  110.70000
   54    62    64    83.00000  116.90000
   62    54    55    83.00000  123.40000
   62    64    65    35.00000  109.50000
   62    64    68    50.00000  109.50000
   62    64    73    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    41    58.35000  112.70000
   64    73    70    60.00000  120.94000
   64    73    74    40.00000  115.04500
   64    73    80    80.00000  116.47100
   68    49    54    63.00000  111.10000
   68    64    65    37.50000  110.70000
   68    41    44    70.00000  112.02700
   68    41    45    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    68    69    37.50000  110.70000
   41    44    50    70.00000  124.00000
   41    44    70    65.00000  117.92700
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   44    50    51    35.00000  120.00000
   44    50    56    65.00000  118.96000
   44    70    66    65.00000  117.55000
   44    70    73    60.00000  120.58800
   44    70    80    85.00000  114.23300
   50    56    57    80.00000  123.72100
   50    56    63    90.00000  111.29400
   56    50    51    40.00000  117.72500
   56    63    66    83.00000  116.90000
   63    56    57    83.00000  123.40000
   63    66    67    35.00000  109.50000
   63    66    70    50.00000  109.50000
   63    66    71    50.00000  109.50000
   66    70    73    60.00000  120.94000
   66    70    80    80.00000  116.47100
   66    71    72    37.50000  110.70000
   66    71    75    58.35000  112.70000
   66    71    79    95.00000  107.88500
   70    44    50    55.00000  125.06700
   70    66    67    45.00000  109.38400
   70    73    74    37.50000  117.20000
   70    73    80    15.00000   60.43100
   70    80    73    15.00000   59.14900
   73    64    65    45.00000  109.38400
   73    64    68    70.00000  112.37300
   80    70    73    15.00000   60.43100
   80    73    74    50.00000  114.27700
   71    66    67    37.50000  110.70000
   71    66    70    70.00000  112.37300
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   71    79    81    90.00000  112.10700
   75    71    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    71    72    55.00000  108.98800
   79    71    75    95.00000  107.88500
   79    81    82    60.00000  105.75400
   79    81    83    90.00000  109.70700
   79    81    97   110.00000  113.16000
   81    83    84    45.00000  109.54000
   81    83    85    70.00000  111.10000
   81    83    87    90.00000  109.42000
   81    97    93    90.00000  112.10700
   83    81    82    45.00000  111.65000
   83    85    86    37.50000  110.70000
   83    85    89    58.35000  112.70000
   83    85    91    90.00000  111.45300
   83    87    88    65.00000  108.53500
   85    83    84    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    93    58.35000  112.70000
   85    89    95    90.00000  111.45300
   85    91    92    65.00000  108.53500
   89    85    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    97    95.00000  107.88500
   89    93    98    58.35000  112.70000
   89    95    96    65.00000  108.53500
   93    89    90    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    90.00000  111.45300
   97    81    82    60.00000  105.75400
   97    81    83    90.00000  109.70700
   97    93    94    55.00000  108.98800
   98    93    94    37.50000  110.70000
   98    93    97    95.00000  107.88500
   98   101   102    65.00000  108.53500
  100    98    99    33.00000  107.80000
  101    98    99    60.00000  109.39000
  101    98   100    60.00000  109.39000
   95    89    90    60.00000  109.39000
   95    89    93    90.00000  111.45300
   91    85    86    60.00000  109.39000
   91    85    89    90.00000  111.45300
   87    83    84    60.00000  109.39000
   87    83    85    90.00000  111.45300
   45    41    44    70.00000  112.02700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   58    49    54    63.00000  111.10000
   58    49    68    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    42    43    35.00000  109.50000
   52    42    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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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   83    85    91    92   0.29150  1.0 1.0
   83    85    91    92  -0.28350 -1.0 2.0
   83    85    91    92   0.43600  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    89   0.15000  1.0 3.0
   84    83    85    91   0.23400  1.0 3.0
   84    83    87    88   0.19450  1.0 3.0
   85    83    87    88   0.29150  1.0 1.0
   85    83    87    88  -0.28350 -1.0 2.0
   85    83    87    88   0.43600  1.0 3.0
   85    89    93    94   0.15000  1.0 3.0
   85    89    93    97   0.62750  1.0 1.0
   85    89    93    97  -0.30950 -1.0 2.0
   85    89    93    97   0.27300  1.0 3.0
   85    89    93    98   0.56750  1.0 1.0
   85    89    93    98  -0.07550 -1.0 2.0
   85    89    93    98   0.20000  1.0 3.0
   85    89    95    96   0.29150  1.0 1.0
   85    89    95    96  -0.28350 -1.0 2.0
   85    89    95    96   0.43600  1.0 3.0
   86    85    89    90   0.15000  1.0 3.0
   86    85    89    93   0.15000  1.0 3.0
   86    85    89    95   0.23400  1.0 3.0
   86    85    91    92   0.19450  1.0 3.0
   89    85    91    92   0.29150  1.0 1.0
   89    85    91    92  -0.28350 -1.0 2.0
   89    85    91    92   0.43600  1.0 3.0
   89    93   -97    81   0.06250  1.0 1.0
   89    93   -97    81  -0.01100 -1.0 2.0
   89    93   -97    81   0.28050  1.0 3.0
   89    93    98    99   0.15000  1.0 3.0
   89    93    98   100   0.15000  1.0 3.0
   89    93    98   101  -0.47750  1.0 1.0
   90    89    93    94   0.15000  1.0 3.0
   90    89    93    97   0.23400  1.0 3.0
   90    89    93    98   0.15000  1.0 3.0
   90    89    95    96   0.19450  1.0 3.0
   93    89    95    96   0.29150  1.0 1.0
   93    89    95    96  -0.28350 -1.0 2.0
   93    89    95    96   0.43600  1.0 3.0
   93    98   101   102   0.29150  1.0 1.0
   93    98   101   102  -0.28350 -1.0 2.0
   93    98   101   102   0.43600  1.0 3.0
   94    93    97    81   0.37050  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.23400  1.0 3.0
   97    81    83    84   0.23400  1.0 3.0
   97    81   -83    85   0.62750  1.0 1.0
   97    81   -83    85  -0.30950 -1.0 2.0
   97    81   -83    85   0.27300  1.0 3.0
   97    81    83    87   1.51850  1.0 1.0
   97    93    98    99   0.23400  1.0 3.0
   97    93    98   100   0.23400  1.0 3.0
   97    93    98   101   1.51850  1.0 1.0
   98    93    97    81   0.06250  1.0 1.0
   98    93    97    81  -0.01100 -1.0 2.0
   98    93    97    81   0.28050  1.0 3.0
   99    98   101   102   0.19450  1.0 3.0
  100    98   101   102   0.19450  1.0 3.0
   95    89    93    94   0.23400  1.0 3.0
   95    89    93    97   1.51850  1.0 1.0
   95    89    93    98  -0.47750  1.0 1.0
   91    85    89    90   0.23400  1.0 3.0
   91    85    89    93  -0.47750  1.0 1.0
   91    85    89    95   3.77950  1.0 1.0
   87    83    85    86   0.23400  1.0 3.0
   87    83    85    89  -0.47750  1.0 1.0
   87    83    85    91   3.77950  1.0 1.0
   45    41    44    50   0.09850  1.0 1.0
   45    41    44    50   0.15250 -1.0 2.0
   45    41    44    50  -0.50650  1.0 3.0
   45    41    44    70   0.46850  1.0 1.0
   45    41    44    70   0.08550 -1.0 2.0
   45    41    44    70   0.09800  1.0 3.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49    54    62   0.36750  1.0 3.0
   58    49    68    64   0.56750  1.0 1.0
   58    49    68    64  -0.07550 -1.0 2.0
   58    49    68    64   0.20000  1.0 3.0
   58    49    68    69   0.15000  1.0 3.0
   58    49    68    41   0.56750  1.0 1.0
   58    49    68    41  -0.07550 -1.0 2.0
   58    49    68    41   0.20000  1.0 3.0
   52    42    49    54  -0.09450  1.0 1.0
   52    42    49    54  -1.12950 -1.0 2.0
   52    42    49    54   0.54000  1.0 3.0
   52    42    49    68   0.86500  1.0 1.0
   52    42    49    68  -0.17500 -1.0 2.0
   52    42    49    68   0.20800  1.0 3.0
   52    42    49    58   0.86500  1.0 1.0
   52    42    49    58  -0.17500 -1.0 2.0
   52    42    49    58   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   49    62    54    55  10.50000 -1.0 2.0
   41    70    44    50   1.10000 -1.0 2.0
   56    51    50    44   1.10000 -1.0 2.0
   50    63    56    57  10.50000 -1.0 2.0
END
