* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    195    324     594
    1     0 S   NP   _N1_     1    28.04196    97.06687   -19.44190
    2     1 S   H    _HN1     2     1.02781    87.19361  -122.50878
    3     1 S   H    _H1_     3     1.02953    74.97387   -12.72335
    4     1 S   H    _H2_     4     1.02839    46.63050   119.56256
    5     1 S   CT   _CA1     5     1.50090   155.56241    93.81566
    6     5 S   HC   _HA1     6     1.09571   105.29591    79.12868
    7     5 S   CO3  _C1_     7     1.53915   112.16045   -41.17642
    8     7 S   O2Z  _O11     8     1.26366   115.07247   -48.81038
    9     7 S   O2Z  _O12     9     1.26224   114.91736   130.26893
   10     5 S   CT   _CB1    10     1.53089   107.41183  -162.95501
   11    10 S   HC   HB11    11     1.09824   109.69126   -50.10776
   12    10 S   HC   HB12    12     1.09706   110.25707    66.35660
   13    10 S   CT   _CG1    13     1.52939   112.51079  -171.03913
   14    13 S   HC   HG11    14     1.09445   110.62090   -56.12139
   15    13 S   HC   HG12    15     1.09651   109.83597    62.66190
   16    13 S   C    _CD1    16     1.51852   112.36459  -176.94931
   17    16 S   O    _OE1    17     1.22741   123.34444    -4.87049
   18    16 S   N    _N2_    18     1.38561   111.72647   175.88944
   19    18 S   H    _HN2    19     1.01604   118.87127     1.89713
   20    18 S   CT1  _CA2    20     1.45818   122.80679   176.08463
   21    20 S   HC   _HA2    21     1.09710   108.85575    32.77503
   22    20 S   C    _C2_    22     1.53039   106.85719   -84.42707
   23    22 S   O    _O2_    23     1.22976   123.05456   -28.85780
   24    20 S   CT   _CB2    32     1.53162   112.00079   156.69063
   25    24 S   HC   HB21    33     1.09529   109.42353    48.91772
   26    24 S   HC   HB22    34     1.09531   110.59180   167.01876
   27    22 S   N    _N3_    24     1.38499   112.53776   153.92903
   28    27 S   H    _HN3    25     1.01647   120.39702    -1.98258
   29    24 S   S    _SG2    35     1.83001   111.80876   -73.91966
   30    27 S   CT   _CA3    26     1.45357   122.46061   178.65448
   31    30 S   HC   HA31    27     1.09565   107.78764   -56.68412
   32    30 S   HC   HA32    28     1.09565   107.62813    59.64577
   33    29 S   CT   _C19    36     1.84316   100.82414   133.98978
   34    33 S   HC   _H6_    37     1.09696   106.18365   -42.12266
   35    30 S   CO3  _C3_    29     1.52891   114.32859  -178.52608
   36    35 S   O2Z  _O31    30     1.26339   116.06039     1.48279
   37    35 S   O2Z  _O32    31     1.26441   114.41730  -178.55829
   38    33 S   CO4  _C20    38     1.53569   109.61472    68.85932
   39    38 S   O    _O36    39     1.23115   121.54673   -56.00361
   40    38 S   OS   _O37    40     1.35500   119.49755   125.49083
   41    40 S   CT   _C21    41     1.45982   126.84636    -5.95776
   42    41 S   HC   _H7_    42     1.09745   105.50195    98.09460
   43    41 S   C5BC _C22    43     1.50663   109.52771  -149.97776
   44    41 S   CT   _C5_    51     1.55868   109.90932   -21.56317
   45    43 S   C5BC _C23    44     1.42586   128.10146    32.30324
   46    45 S   HA   _H17    45     1.08097   127.40415     0.98992
   47    44 S   CT   _C6_    52     1.53902   112.63714   173.82861
   48    47 S   HC   _H11    53     1.09766   111.09168    60.02892
   49    47 S   HC   _H12    54     1.09661   110.26438   -54.70779
   50    33 S   CT   _C18    76     1.55881   115.81125  -161.24053
   51    44 S   CT   _C4_    97     1.56462   106.63367   -68.40550
   52    51 S   HC   _H8_    98     1.09407   112.82096    43.98655
   53    51 S   HC   _H9_    99     1.09729   110.37344   -74.35622
   54    51 S   HC   _H10   100     1.08702   115.41101   166.64736
   55    45 S   C5A  _C24    46     1.37442   106.66873  -179.12374
   56    55 S   HA   _H18    47     1.08026   133.82072  -179.75772
   57    47 S   CT   _C7_    55     1.54281   112.89247  -179.36449
   58    57 S   HC   _H3_    56     1.09734   107.44314   -89.21457
   59    50 S   OH   _O39    77     1.46365   102.02143   162.20482
   60    59 S   HO   _H20    78     0.97387   108.28683   -59.15472
   61    55 S   OA   _O38    48     1.35648   110.47604     0.57675
   62    57 S   CT   _C8_    57     1.56553   114.53990    30.27484
   63    62 S   HC   _H4_    58     1.09141   103.81715   -77.21327
   64    57 S   OH   _O40    95     1.42079   107.86191   156.53466
   65    64 S   HO   _H33    96     0.97260   107.82144    55.58295
   66    43 S   C5A  _C25    49     1.38220   126.92346  -145.52145
   67    66 S   HA   _H19    50     1.08073   133.40542    -0.96591
   68    62 S   CT   _C9_    59     1.59477   117.77269   172.77390
   69    68 S   CM   _C10    60     1.52119   108.24216    44.97665
   70    69 S   HC   _H13    61     1.09265   113.41774   -66.23337
   71    68 S   CT   _C14    68     1.57272   104.72498   165.72966
   72    71 S   HC   _H5_    69     1.10235   105.97467   -49.04454
   73    68 S   CT   _C29    91     1.55021   113.88999   -71.02860
   74    73 S   HC   _H30    92     1.09059   113.62235   -85.38711
   75    73 S   HC   _H31    93     1.09499   112.44691   154.51560
   76    73 S   HC   _H32    94     1.09103   112.84328    36.51105
   77    69 S   CM   _C11    62     1.33629   132.97899   114.89394
   78    77 S   HC   _H14    63     1.09064   115.87288  -178.25549
   79    71 S   CT   _C15    70     1.53765   110.06375    63.47379
   80    79 S   HC   _H15    71     1.09365   109.07476  -170.98847
   81    79 S   HC   _H16    72     1.09318   112.23207    70.79041
   82    77 S   CO4  _C12    64     1.46411   132.16788    -1.08894
   83    82 S   O    _O33    65     1.22998   118.48090  -156.59274
   84    79 S   CO4  _C16    73     1.51701   115.17200   -54.15956
   85    84 S   O    _O35    74     1.23692   118.35474  -155.86712
   86    82 S   OS   _O34    66     1.34201   120.89493    25.83901
   87    62 S   CT   _C17    75     1.56038   111.25339    32.97547
   88    86 S   CT   _C13    67     1.46382   130.20882    -1.08047
   89    87 S   CT   _C26    79     1.56560   110.36676    63.26521
   90    89 S   HC   _H21    80     1.09101   113.34189   -63.60054
   91    89 S   HC   _H22    81     1.09707   111.82604   175.14167
   92    89 S   HC   _H23    82     1.08898   112.73908    58.62836
   93    88 S   CT   _C27    83     1.54477   101.53413  -172.58783
   94    93 S   HC   _H24    84     1.09730   110.96770   -53.12406
   95    93 S   HC   _H25    85     1.09358   112.01312  -173.41942
   96    93 S   HC   _H26    86     1.09612   110.99528    64.03062
   97    88 S   CT   _C28    87     1.53011   109.09789    75.19412
   98    97 S   HC   _H27    88     1.09736   110.57582    61.76788
   99    97 S   HC   _H28    89     1.09181   112.75219   -54.61643
  100    97 S   HC   _H29    90     1.09419   111.56991  -178.52980
  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   9   5   4   3
  15   7   2   1   1   9   3   9  20   7  11  19   6   4  16   7
   6  18   6   2   1   1   4   2  12   6   5   1   2  22   8   3
   1   1   1  21  15   5  23   9   7   2   1   1   5   3  10   5
   4   5   2   7   2   9   4   8   3   2   1   1   7   3   2   1
   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    87    50    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    62    84    87    50    59    60    89    51  
   38    39    40    44    87    50    59  
   36    37  
   37  
    0  
   39    40    41    42    43    44    87    50    59  
   40    41    50  
   41    42    43    45    66    44    47    50    51  
   42    43    45    46    55    61    66    67    44    47    48    49    57    87    50    59    51    52    53    54  
   43    45    66    44    47    50    51  
   45    46    55    56    61    66    67    44    47    50    51  
   47    48    49    57    58    62    84    87    50    59    60    89    64    51    52    53    54    45    66  
   46    55    56    61    66    67  
   55    56    61    66  
   48    49    57    58    62    63    68    87    50    59    64    65    51    52    53    54  
   49    57    58    62    50    64    51  
   57    58    62    50    64    51  
   59    60    89    90    91    92    51    52    53    54    57    62    63    68    79    84    85    87  
   52    53    54    57    59    87  
   53    54  
   54  
    0  
   56    61    66    67  
   61    66  
   58    62    63    68    69    71    84    87    89    73    64    65  
   62    63    68    87    64    65  
   60    89    62    84    87  
   87  
   66    67  
   63    68    69    70    77    88    71    72    79    84    85    87    89    90    91    92    73    74    75    76    64    65  
   68    69    71    84    87    89    73    64  
   65    68    87  
    0  
   67  
    0  
   69    70    77    78    82    86    88    71    72    79    80    81    84    87    89    93    97    73    74    75    76  
   70    77    78    82    83    86    88    71    72    79    87    73    74    75    76  
   77    78    82    71    73  
   72    79    80    81    84    85    87    93    94    95    96    97    98    99   100    73    74    75    76    77    82    86    88  
   79    80    81    84    93    97    73    86    88  
   74    75    76    77    79    87    88  
   75    76  
   76  
    0  
   78    82    83    86    88  
   82    83    86  
   80    81    84    85    87    89    93    97    86    88  
   81    84    85    87    88  
   84    85    87    88  
   83    86    88    93    97  
   86    88  
   85    87    89    90    91    92    88  
   87    89  
   88    93    94    95    96    97    98    99   100  
   89    90    91    92  
   93    94    95    96    97    98    99   100  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100  
   99   100  
  100  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    66   546.000  1.367
   45    46   367.000  1.080
   45    55   546.000  1.367
   55    56   367.000  1.080
   55    61   340.000  1.360
   61    66   340.000  1.360
   66    67   367.000  1.080
   44    47   268.000  1.529
   44    50   268.000  1.529
   44    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    64   320.000  1.410
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    87   268.000  1.529
   68    69   317.000  1.510
   68    71   268.000  1.529
   68    73   268.000  1.529
   69    70   340.000  1.080
   69    77   549.000  1.340
   77    78   340.000  1.080
   77    82   320.000  1.462
   82    83   570.000  1.229
   82    86   214.000  1.327
   86    88   320.000  1.410
   88    71   268.000  1.529
   88    93   268.000  1.529
   88    97   268.000  1.529
   71    72   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   317.000  1.522
   84    85   570.000  1.229
   84    87   317.000  1.522
   87    50   268.000  1.529
   87    89   268.000  1.529
   50    59   320.000  1.410
   59    60   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    65   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    50    44    58.35000  112.70000
   33    50    87    58.35000  112.70000
   33    50    59    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    66    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    44    51    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    55    70.00000  107.30000
   43    66    61    70.00000  110.60000
   43    66    67    35.00000  132.10000
   45    55    56    35.00000  132.10000
   45    55    61    70.00000  110.60000
   55    45    46    35.00000  125.70000
   55    61    66    70.00000  106.50000
   61    55    56    35.00000  113.40000
   61    66    67    35.00000  113.40000
   66    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    57    58.35000  112.70000
   44    50    87    58.35000  112.70000
   44    50    59    50.00000  109.50000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   47    57    58    37.50000  110.70000
   47    57    62    58.35000  112.70000
   47    57    64    50.00000  109.50000
   49    47    48    33.00000  107.80000
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    68    58.35000  112.70000
   57    62    87    58.35000  112.70000
   57    64    65    55.00000  108.50000
   62    57    58    37.50000  110.70000
   62    68    69    70.00000  112.02700
   62    68    71    58.35000  112.70000
   62    68    73    58.35000  112.70000
   62    87    84    63.00000  111.10000
   62    87    50    58.35000  112.70000
   62    87    89    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    69    70    35.00000  117.00000
   68    69    77    70.00000  124.00000
   68    71    88    58.35000  112.70000
   68    71    72    37.50000  110.70000
   68    71    79    58.35000  112.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   69    77    78    35.00000  120.00000
   69    77    82    65.00000  118.96000
   77    69    70    35.00000  120.00000
   77    82    83    80.00000  123.72100
   77    82    86    90.00000  111.29400
   82    77    78    40.00000  117.72500
   82    86    88    83.00000  116.90000
   86    82    83    83.00000  123.40000
   86    88    71    50.00000  109.50000
   86    88    93    50.00000  109.50000
   86    88    97    50.00000  109.50000
   88    71    72    37.50000  110.70000
   88    71    79    58.35000  112.70000
   88    93    94    37.50000  110.70000
   88    93    95    37.50000  110.70000
   88    93    96    37.50000  110.70000
   88    97    98    37.50000  110.70000
   88    97    99    37.50000  110.70000
   88    97   100    37.50000  110.70000
   71    68    69    70.00000  112.02700
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    84    63.00000  111.10000
   79    71    72    37.50000  110.70000
   79    84    85    80.00000  120.40000
   79    84    87    70.00000  116.00000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    87    50    63.00000  111.10000
   84    87    89    63.00000  111.10000
   87    62    63    37.50000  110.70000
   87    62    68    58.35000  112.70000
   87    84    85    80.00000  120.40000
   87    50    59    50.00000  109.50000
   87    89    90    37.50000  110.70000
   87    89    91    37.50000  110.70000
   87    89    92    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    47    58.35000  112.70000
   50    59    60    55.00000  108.50000
   89    87    50    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    88    71    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    88    71    58.35000  112.70000
   97    88    93    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   73    68    69    70.00000  112.02700
   73    68    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    62    50.00000  109.50000
   51    44    47    58.35000  112.70000
   51    44    50    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
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   97    88    93    96   0.15000  1.0 3.0
   73    68    69    70   0.00000  1.0 1.0
   73    68    69    77   0.09850  1.0 1.0
   73    68    69    77   0.15250 -1.0 2.0
   73    68    69    77  -0.50650  1.0 3.0
   73    68    71    88   0.56750  1.0 1.0
   73    68    71    88  -0.07550 -1.0 2.0
   73    68    71    88   0.20000  1.0 3.0
   73    68    71    72   0.15000  1.0 3.0
   73    68    71    79   0.56750  1.0 1.0
   73    68    71    79  -0.07550 -1.0 2.0
   73    68    71    79   0.20000  1.0 3.0
   64    57    62    63   0.23400  1.0 3.0
   64    57    62    68   0.86500  1.0 1.0
   64    57    62    68  -0.17500 -1.0 2.0
   64    57    62    68   0.20800  1.0 3.0
   64    57    62    87   0.86500  1.0 1.0
   64    57    62    87  -0.17500 -1.0 2.0
   64    57    62    87   0.20800  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    57   0.56750  1.0 1.0
   51    44    47    57  -0.07550 -1.0 2.0
   51    44    47    57   0.20000  1.0 3.0
   51    44    50    33   0.56750  1.0 1.0
   51    44    50    33  -0.07550 -1.0 2.0
   51    44    50    33   0.20000  1.0 3.0
   51    44    50    87   0.56750  1.0 1.0
   51    44    50    87  -0.07550 -1.0 2.0
   51    44    50    87   0.20000  1.0 3.0
   51    44    50    59   0.86500  1.0 1.0
   51    44    50    59  -0.17500 -1.0 2.0
   51    44    50    59   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
   33    40    38    39  10.50000 -1.0 2.0
   45    66    43    41   4.00000 -1.0 2.0
   55    46    45    43   1.10000 -1.0 2.0
   61    56    55    45   1.10000 -1.0 2.0
   61    67    66    43   1.10000 -1.0 2.0
   68    70    69    77   1.10000 -1.0 2.0
   82    78    77    69   1.10000 -1.0 2.0
   77    86    82    83  10.50000 -1.0 2.0
   79    87    84    85  10.50000 -1.0 2.0
END
