* LIGAND DATABASE FILE (OPLS2005)
*
001     100   106    200    335     595
    1     0 S   NP   _N1_     1    28.85094    98.82317   -23.18632
    2     1 S   H    _HN1     2     1.02828    53.66415   171.53007
    3     1 S   H    _H1_     3     1.02793   104.55347   -86.76178
    4     1 S   H    _H2_     4     1.02947    57.07565    15.94536
    5     1 S   CT   _CA1     5     1.50120   143.23921    96.02541
    6     5 S   HC   _HA1     6     1.09574   105.16133   115.77554
    7     5 S   CO3  _C1_     7     1.53765   112.49766    -4.43288
    8     7 S   O2Z  _O11     8     1.26376   115.00163   -41.87697
    9     7 S   O2Z  _O12     9     1.26237   114.94241   137.16614
   10     5 S   CT   _CB1    10     1.53062   107.41120  -126.24279
   11    10 S   HC   HB11    11     1.09841   109.32124   -49.35955
   12    10 S   HC   HB12    12     1.09811   110.47483    67.23252
   13    10 S   CT   _CG1    13     1.53021   112.64739  -170.29862
   14    13 S   HC   HG11    14     1.09568   110.73893   -67.60919
   15    13 S   HC   HG12    15     1.09670   109.69290    51.64389
   16    13 S   C    _CD1    16     1.51807   111.98631   172.13029
   17    16 S   O    _OE1    17     1.22756   123.18235    12.77663
   18    16 S   N    _N2_    18     1.38652   111.83817  -167.30240
   19    18 S   H    _HN2    19     1.01575   118.99310     1.00249
   20    18 S   CT1  _CA2    20     1.46188   123.31273   176.21411
   21    20 S   HC   _HA2    21     1.09743   109.30631     6.30994
   22    20 S   C    _C2_    22     1.53639   108.76514  -109.12958
   23    22 S   O    _O2_    23     1.23073   122.24513  -148.51925
   24    20 S   CT   _CB2    32     1.53303   111.71384   128.30463
   25    24 S   HC   HB21    33     1.09407   110.11278    57.18031
   26    24 S   HC   HB22    34     1.09452   109.87714   175.66045
   27    22 S   N    _N3_    24     1.38311   113.81369    38.94877
   28    27 S   H    _HN3    25     1.01553   119.61356    -3.15970
   29    24 S   S    _SG2    35     1.82881   111.35017   -64.27289
   30    27 S   CT   _CA3    26     1.45285   123.30295   177.22582
   31    30 S   HC   HA31    27     1.09547   107.50266   -65.05127
   32    30 S   HC   HA32    28     1.09555   108.01124    51.41571
   33    29 S   CT   _C12    36     1.86313    99.73710  -172.42840
   34    33 S   HC   _H7_    37     1.09472   110.78149    20.43539
   35    30 S   CO3  _C3_    29     1.52985   114.01957   173.41587
   36    35 S   O2Z  _O31    30     1.26387   116.06598    -0.66205
   37    35 S   O2Z  _O32    31     1.26424   114.42010   179.40095
   38    33 S   CM   _C13    38     1.50833   102.32102   -99.33933
   39    38 S   CMA  _C14    39     1.34616   111.90685   -95.52594
   40    39 S   OM   _O37    40     1.26071   132.90354   168.86865
   41    38 S   CT   _C20    97     1.49584   121.56526    79.48919
   42    41 S   HC   _H20    98     1.09312   111.33096   -72.60975
   43    41 S   HC   _H21    99     1.09497   111.86893   167.01213
   44    41 S   HC   _H22   100     1.09476   110.12208    48.08062
   45    39 S   CT   _C15    41     1.56747   110.23057   -13.46403
   46    33 S   CT   _C11    42     1.57507   120.48211   149.91212
   47    46 S   HC   _H6_    43     1.10398   101.30554  -172.47994
   48    45 S   CT   _C16    85     1.56362   108.14574  -131.09029
   49    48 S   HC   _H8_    86     1.09984   108.16601    33.02453
   50    45 S   OH   _O36    95     1.42661   110.72209   107.58489
   51    50 S   HO   _H19    96     0.97288   107.51499   -30.03758
   52    46 S   CT   _C10    44     1.60392   121.12009   -58.70630
   53    48 S   OH   _O35    87     1.43945   108.68646   -81.78395
   54    53 S   HO   _H18    88     0.97507   106.21838    48.16235
   55    52 S   CT   _C9_    45     1.57138   113.90923   161.06736
   56    55 S   HC   _H5_    46     1.09665   109.30920   -77.75994
   57    52 S   OS   _O38    73     1.46531   105.28746   -80.86309
   58    55 S   CT   _C8_    47     1.55728   107.46228   164.36046
   59    58 S   HC   _H4_    48     1.09504   111.11705   173.59877
   60    55 S   C3T  _C18    82     1.50223   119.09839    45.09442
   61    60 S   HC   _H9_    83     1.08698   111.85217   151.65488
   62    58 S   CT   _C7_    49     1.53776   114.31598    42.74459
   63    60 S   C3T  _C17    84     1.49904   127.51865   -58.78953
   64    62 S   CT   _C6_    50     1.53020   110.19824    21.01506
   65    64 S   HC   _H13    51     1.09820   110.85365   175.81025
   66    64 S   HC   _H14    52     1.09805   110.20330    58.91628
   67    62 S   OS   _O40    59     1.44641   103.80067   -92.16922
   68    62 S   CM   _C28    74     1.52585   112.70377   148.48756
   69    60 S   O3T  _O33    89     1.42734   116.67706    11.39328
   70    63 S   CT   _C19    90     1.51439   116.77820  -159.14116
   71    70 S   HC   _H15    91     1.09591   111.38964   -47.18878
   72    70 S   HC   _H16    92     1.09526   111.27095  -167.56746
   73    52 S   CT   _C5_    53     1.58816   114.77682    36.89624
   74    73 S   HC   _H3_    54     1.09394   107.86245    40.95516
   75    67 S   CO   _C21    60     1.42854   105.11957     9.10558
   76    68 S   CM   _C29    75     1.34470   123.36866   108.05069
   77    76 S   HC   _H28    76     1.08543   121.35633   179.93147
   78    76 S   HC   _H29    77     1.08453   122.21274    -0.26020
   79    68 S   CT   _C30    78     1.50782   117.14999   -71.96042
   80    79 S   HC   _H30    79     1.09440   110.58817   -66.19118
   81    79 S   HC   _H31    80     1.09394   110.99946    54.38480
   82    79 S   HC   _H32    81     1.09559   112.06937   174.15605
   83    70 S   OH   _O34    93     1.42302   109.45738    71.98306
   84    83 S   HO   _H17    94     0.97199   106.96098   175.60404
   85    73 S   CT   _C4_    55     1.54810   114.51431   -80.77676
   86    85 S   HC   _H10    56     1.09291   113.63771   -91.57117
   87    85 S   HC   _H11    57     1.09597   109.81314   150.72025
   88    85 S   HC   _H12    58     1.09078   112.80017    29.14338
   89    75 S   CA   _C22    61     1.51286   111.14409  -155.08934
   90    58 S   OS   _O39    72     1.43727   104.80475   -68.67818
   91    89 S   CA   _C23    62     1.40497   120.35623   154.92252
   92    91 S   HA   _H23    63     1.08781   120.30855    -1.08372
   93    91 S   CA   _C24    64     1.39628   120.84907   178.64708
   94    93 S   HA   _H24    65     1.08625   119.92336   179.70392
   95    93 S   CA   _C25    66     1.39248   120.05675    -0.55461
   96    95 S   HA   _H25    67     1.08605   120.07073  -179.91607
   97    95 S   CA   _C26    68     1.39273   119.86005    -0.30774
   98    97 S   HA   _H26    69     1.08632   119.97616  -179.43698
   99    89 S   CA   _C27    70     1.40384   121.27440   -27.90157
  100    99 S   HA   _H27    71     1.08736   120.59357     1.14500
  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
  17   7   2   1   1  12  15   5   5   2   1   1  16  18   6  15
   7   4   1  23   5   1  18  10  13  17   7  10   3  18   6  14
   6   5   9  10   4   4   3   2   6   4   8   6   2   1   3   2
   1   1   1   1   3   2   1   1  10   2   8   4   6   3   5   3
   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    46    47    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    47    52    55    73    57    48    50    41    42    43    44  
   38    39    45    46    47    52    41  
   36    37  
   37  
    0  
   39    40    45    46    47    52    48    50    41    42    43    44  
   40    45    46    47    52    63    48    49    53    50    51    41    42    43    44  
   45    46    48    50    41  
   42    43    44    45    46  
   43    44  
   44  
    0  
   46    47    52    55    73    57    60    63    48    49    53    54    69    70    50    51  
   47    52    55    56    58    64    73    74    85    75    57    60    63    48    49    53    50    51  
   52    55    73    57    48    50  
   49    53    54    69    70    71    72    83    50    51    52    55    60    61    63  
   53    54    69    70    50    60    63  
   51    52    53    63  
    0  
   55    56    58    59    62    64    65    66    73    74    85    86    87    88    67    75    89    90    57    60    61    63    69  
   54    69    70    60    63  
   63  
   56    58    59    62    64    73    74    85    67    75    90    57    68    60    61    63    69    70  
   58    59    62    73    90    57    60    61    63    69  
   60    58    62    64    67    73    74    75    85    89    90    91    99  
   59    62    64    65    66    73    67    75    89    90    68    76    79    60    61    63    69  
   62    64    67    75    90    68    60  
   61    63    69    70    71    72    83    62    73    90  
   63    69    70  
   64    65    66    73    74    85    67    75    89    90    68    76    77    78    79    80    81    82  
   69    70    71    72    83    84  
   65    66    73    74    85    86    87    88    67    75    90    68    76    79  
   66    73    74    85    67    68  
   73    74    85    67    68  
   75    89    91    99    90    68    76    79    73  
   76    77    78    79    80    81    82    73    75    90  
   70    71    72    83  
   71    72    83    84  
   72    83    84  
   83    84  
   74    85    86    87    88    75  
   85    86    87    88  
   89    91    92    93    97    99   100    90  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
   91    92    93    94    95    97    98    99   100    90  
   91    99  
   92    93    94    95    96    97    99   100  
   93    94    95    99  
   94    95    96    97    98    99  
   95    96    97  
   96    97    98    99   100  
   97    98    99  
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   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   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   90   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  1.510
   33    46   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   268.000  1.529
   45    48   268.000  1.529
   45    50   320.000  1.410
   46    47   340.000  1.090
   46    52   268.000  1.529
   52    55   268.000  1.529
   52    73   268.000  1.529
   52    57   320.000  1.410
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    60   275.000  1.510
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    90   320.000  1.410
   62    64   268.000  1.529
   62    67   320.000  1.410
   62    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   268.000  1.529
   73    74   340.000  1.090
   73    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   67    75   320.000  1.380
   75    89   270.000  1.504
   75    90   320.000  1.380
   75    57   320.000  1.380
   89    91   469.000  1.400
   89    99   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
   93    95   469.000  1.400
   95    96   367.000  1.080
   95    97   469.000  1.400
   97    98   367.000  1.080
   97    99   469.000  1.400
   99   100   367.000  1.080
   68    76   549.000  1.340
   68    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   60    61   340.000  1.088
   60    63   260.000  1.509
   60    69   335.000  1.432
   63    48   275.000  1.510
   63    69   335.000  1.432
   63    70   275.000  1.510
   48    49   340.000  1.090
   48    53   320.000  1.410
   53    54   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    83   320.000  1.410
   83    84   553.000  0.945
   50    51   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    46    45    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    52    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    70.00000  112.02700
   39    45    48    70.00000  112.02700
   39    45    50    90.00000  110.39200
   45    39    40    85.00000  112.85300
   45    46    47    37.50000  110.70000
   45    46    52    58.35000  112.70000
   45    48    63    70.00000  112.37300
   45    48    49    37.50000  110.70000
   45    48    53    50.00000  109.50000
   45    50    51    55.00000  108.50000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    52    55    58.35000  112.70000
   46    52    73    58.35000  112.70000
   46    52    57    50.00000  109.50000
   52    46    47    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    58    58.35000  112.70000
   52    55    60    70.00000  112.37300
   52    73    64    58.35000  112.70000
   52    73    74    37.50000  110.70000
   52    73    85    58.35000  112.70000
   52    57    75    60.00000  109.50000
   55    58    59    37.50000  110.70000
   55    58    62    58.35000  112.70000
   55    58    90    50.00000  109.50000
   55    60    61    40.00000  115.04500
   55    60    63    60.00000  120.94000
   55    60    69    80.00000  116.47100
   58    55    56    37.50000  110.70000
   58    62    64    58.35000  112.70000
   58    62    67    50.00000  109.50000
   58    62    68    70.00000  112.02700
   58    90    75    60.00000  109.50000
   62    58    59    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    73    58.35000  112.70000
   62    67    75    60.00000  109.50000
   62    68    76    70.00000  124.00000
   62    68    79    65.00000  117.92700
   64    73    74    37.50000  110.70000
   64    73    85    58.35000  112.70000
   66    64    65    33.00000  107.80000
   73    52    55    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    66    37.50000  110.70000
   73    85    86    37.50000  110.70000
   73    85    87    37.50000  110.70000
   73    85    88    37.50000  110.70000
   85    73    74    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   67    62    64    50.00000  109.50000
   67    75    89    90.00000  107.97000
   67    75    90    92.60000  111.55000
   67    75    57    92.60000  111.55000
   75    89    91    60.00000  120.68000
   75    89    99    60.00000  120.68000
   89    91    92    35.00000  120.00000
   89    91    93    63.00000  120.00000
   89    99    97    63.00000  120.00000
   89    99   100    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    63.00000  120.00000
   93    91    92    35.00000  120.00000
   93    95    96    35.00000  120.00000
   93    95    97    63.00000  120.00000
   95    93    94    35.00000  120.00000
   95    97    98    35.00000  120.00000
   95    97    99    63.00000  120.00000
   97    95    96    35.00000  120.00000
   97    99   100    35.00000  120.00000
   99    89    91    63.00000  120.00000
   99    97    98    35.00000  120.00000
   90    58    59    35.00000  109.50000
   90    58    62    50.00000  109.50000
   90    75    89    90.00000  107.97000
   57    52    55    50.00000  109.50000
   57    52    73    50.00000  109.50000
   57    75    89    90.00000  107.97000
   57    75    90    92.60000  111.55000
   68    62    64    70.00000  112.02700
   68    62    67    85.00000  110.90400
   68    76    77    35.00000  120.00000
   68    76    78    35.00000  120.00000
   68    79    80    35.00000  109.50000
   68    79    81    35.00000  109.50000
   68    79    82    35.00000  109.50000
   78    76    77    35.00000  117.00000
   79    68    76    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   60    55    56    45.00000  109.38400
   60    55    58    70.00000  112.37300
   60    63    48    60.00000  120.94000
   60    63    69    15.00000   60.43100
   60    63    70    60.00000  120.94000
   60    69    63    15.00000   59.14900
   63    60    61    37.50000  117.20000
   63    48    49    45.00000  109.38400
   63    48    53    50.00000  109.50000
   63    70    71    45.00000  109.38400
   63    70    72    45.00000  109.38400
   63    70    83    50.00000  109.50000
   48    45    46    58.35000  112.70000
   48    53    54    55.00000  108.50000
   53    48    49    35.00000  109.50000
   69    60    61    50.00000  114.27700
   69    60    63    15.00000   60.43100
   69    63    48    80.00000  116.47100
   70    63    48    58.35000  112.70000
   70    63    69    80.00000  116.47100
   70    83    84    55.00000  108.50000
   72    70    71    33.00000  107.80000
   83    70    71    35.00000  109.50000
   83    70    72    35.00000  109.50000
   50    45    46    50.00000  109.50000
   50    45    48    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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
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   57    75   -90    58   0.33750  1.0 3.0
   68    62    64    65   0.15000  1.0 3.0
   68    62    64    66   0.15000  1.0 3.0
   68    62    64    73   0.34400  1.0 1.0
   68    62    64    73   0.09450 -1.0 2.0
   68    62    64    73   0.11100  1.0 3.0
   68    62    67    75  -0.77900  1.0 1.0
   68    62    67    75  -0.36900 -1.0 2.0
   68    62    67    75   0.40400  1.0 3.0
   76    68    79    80   0.00000  1.0 1.0
   76    68    79    81   0.00000  1.0 1.0
   76    68    79    82   0.00000  1.0 1.0
   79    68    76    77   7.00000 -1.0 2.0
   79    68    76    78   7.00000 -1.0 2.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    62   0.47050  1.0 1.0
   60    55    58    62   0.03900 -1.0 2.0
   60    55    58    62   0.20100  1.0 3.0
   60    55    58    90  -0.26800  1.0 1.0
   60    55    58    90   0.69150 -1.0 2.0
   60    55    58    90  -0.48750  1.0 3.0
   60    63    48    45   0.07850  1.0 1.0
   60    63    48    45  -0.03950 -1.0 2.0
   60    63    48    45   0.67350  1.0 3.0
   60    63    48    49   0.15000  1.0 3.0
   60    63    48    53   0.86500  1.0 1.0
   60    63    48    53  -0.17500 -1.0 2.0
   60    63    48    53   0.20800  1.0 3.0
   60    63    70    71   0.15000  1.0 3.0
   60    63    70    72   0.15000  1.0 3.0
   60    63    70    83   0.86500  1.0 1.0
   60    63    70    83  -0.17500 -1.0 2.0
   60    63    70    83   0.20800  1.0 3.0
   61    60    63    48   0.15000  1.0 3.0
   61    60   -63    69   0.23400  1.0 3.0
   61    60    63    70   0.15000  1.0 3.0
   61    60   -69    63   0.36800  1.0 3.0
   63    48    53    54  -0.11600  1.0 1.0
   63    48    53    54  -0.09450 -1.0 2.0
   63    48    53    54   0.21250  1.0 3.0
   63    70    83    84  -0.11600  1.0 1.0
   63    70    83    84  -0.09450 -1.0 2.0
   63    70    83    84   0.21250  1.0 3.0
   48    45    46    33   0.56750  1.0 1.0
   48    45    46    33  -0.07550 -1.0 2.0
   48    45    46    33   0.20000  1.0 3.0
   48    45    46    47   0.15000  1.0 3.0
   48    45    46    52   0.56750  1.0 1.0
   48    45    46    52  -0.07550 -1.0 2.0
   48    45    46    52   0.20000  1.0 3.0
   48    45    50    51  -0.11600  1.0 1.0
   48    45    50    51  -0.09450 -1.0 2.0
   48    45    50    51   0.21250  1.0 3.0
   48    63   -69    60   0.06250  1.0 1.0
   48    63   -69    60  -0.01100 -1.0 2.0
   48    63   -69    60   0.28050  1.0 3.0
   48    63    70    71   0.15000  1.0 3.0
   48    63    70    72   0.15000  1.0 3.0
   48    63    70    83   0.86500  1.0 1.0
   48    63    70    83  -0.17500 -1.0 2.0
   48    63    70    83   0.20800  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   69    60   -63    48   0.02550  1.0 1.0
   69    60   -63    48  -0.02600 -1.0 2.0
   69    60   -63    48   1.20400  1.0 3.0
   69    60   -63    70   0.02550  1.0 1.0
   69    60   -63    70  -0.02600 -1.0 2.0
   69    60   -63    70   1.20400  1.0 3.0
   69    63    48    45   0.02550  1.0 1.0
   69    63    48    45  -0.02600 -1.0 2.0
   69    63    48    45   1.20400  1.0 3.0
   69    63    48    49   0.23400  1.0 3.0
   69    63    48    53   3.69350  1.0 1.0
   69    63    48    53  -1.82950 -1.0 2.0
   69    63    70    71   0.23400  1.0 3.0
   69    63    70    72   0.23400  1.0 3.0
   69    63    70    83   3.69350  1.0 1.0
   69    63    70    83  -1.82950 -1.0 2.0
   70    63    48    45   0.56750  1.0 1.0
   70    63    48    45  -0.07550 -1.0 2.0
   70    63    48    45   0.20000  1.0 3.0
   70    63    48    49   0.15000  1.0 3.0
   70    63    48    53   0.86500  1.0 1.0
   70    63    48    53  -0.17500 -1.0 2.0
   70    63    48    53   0.20800  1.0 3.0
   70    63   -69    60   0.06250  1.0 1.0
   70    63   -69    60  -0.01100 -1.0 2.0
   70    63   -69    60   0.28050  1.0 3.0
   71    70    83    84   0.19450  1.0 3.0
   72    70    83    84   0.19450  1.0 3.0
   50    45    46    33   0.86500  1.0 1.0
   50    45    46    33  -0.17500 -1.0 2.0
   50    45    46    33   0.20800  1.0 3.0
   50    45    46    47   0.23400  1.0 3.0
   50    45    46    52   0.86500  1.0 1.0
   50    45    46    52  -0.17500 -1.0 2.0
   50    45    46    52   0.20800  1.0 3.0
   50    45    48    63   0.86500  1.0 1.0
   50    45    48    63  -0.17500 -1.0 2.0
   50    45    48    63   0.20800  1.0 3.0
   50    45    48    49   0.23400  1.0 3.0
   50    45    48    53   3.75450  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
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    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
   91    99    89    75   4.00000 -1.0 2.0
   93    92    91    89   1.10000 -1.0 2.0
   95    94    93    91   1.10000 -1.0 2.0
   97    96    95    93   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
   97   100    99    89   1.10000 -1.0 2.0
   62    79    68    76  15.00000 -1.0 2.0
   77    78    76    68  15.00000 -1.0 2.0
END
