* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    195    324     594
    1     0 S   NP   _N1_     1    28.70830    96.48006   -24.11855
    2     1 S   H    _HN1     2     1.02948    71.72069     7.25531
    3     1 S   H    _H1_     3     1.02827    36.70697   171.13907
    4     1 S   H    _H2_     4     1.02788   110.46461   -96.10262
    5     1 S   CT   _CA1     5     1.50127   133.53618   108.34703
    6     5 S   HC   _HA1     6     1.09573   105.17310    93.92391
    7     5 S   CO3  _C1_     7     1.53777   112.46466   -26.29189
    8     7 S   O2Z  _O11     8     1.26376   115.00242   -42.22329
    9     7 S   O2Z  _O12     9     1.26237   114.94610   136.82334
   10     5 S   CT   _CB1    10     1.53066   107.40560  -148.09424
   11    10 S   HC   HB11    11     1.09838   109.34846   -49.39602
   12    10 S   HC   HB12    12     1.09812   110.45991    67.20284
   13    10 S   CT   _CG1    13     1.53008   112.63665  -170.34592
   14    13 S   HC   HG11    14     1.09574   110.69366   -66.68001
   15    13 S   HC   HG12    15     1.09670   109.73563    52.56895
   16    13 S   C    _CD1    16     1.51807   112.08285   173.03610
   17    16 S   O    _OE1    17     1.22749   123.22706    10.21685
   18    16 S   N    _N2_    18     1.38644   111.77666  -169.87655
   19    18 S   H    _HN2    19     1.01585   118.99155     1.19975
   20    18 S   CT1  _CA2    20     1.46200   123.36996   176.97379
   21    20 S   HC   _HA2    21     1.09739   109.32182     5.65388
   22    20 S   C    _C2_    22     1.53606   108.76307  -109.86880
   23    22 S   O    _O2_    23     1.23072   122.25159  -148.17096
   24    20 S   CT   _CB2    32     1.53291   111.59833   127.62122
   25    24 S   HC   HB21    33     1.09507   110.07228    57.27370
   26    24 S   HC   HB22    34     1.09493   110.04205   176.07774
   27    22 S   N    _N3_    24     1.38322   113.79864    39.30239
   28    27 S   H    _HN3    25     1.01560   119.61274    -3.25822
   29    24 S   S    _SG2    35     1.82864   111.44840   -64.25587
   30    27 S   CT   _CA3    26     1.45278   123.23604   177.17506
   31    30 S   HC   HA31    27     1.09548   107.51084   -64.69684
   32    30 S   HC   HA32    28     1.09557   107.99033    51.74799
   33    29 S   CT   _C19    36     1.85017    99.65260   178.46800
   34    33 S   HC   _H6_    37     1.09221   106.15051    29.34128
   35    30 S   CO3  _C3_    29     1.52965   114.07052   173.75022
   36    35 S   O2Z  _O31    30     1.26379   116.08875    -0.47147
   37    35 S   O2Z  _O32    31     1.26430   114.40735   179.58551
   38    33 S   CO4  _C20    38     1.53217   107.83840   -82.09370
   39    38 S   O    _O36    39     1.22748   124.73776    14.59180
   40    38 S   OS   _O37    40     1.35569   114.74742  -173.95072
   41    40 S   CT   _C21    41     1.44423   120.55861    44.49013
   42    41 S   HC   _H7_    42     1.09930   105.15535    68.99463
   43    41 S   C5BC _C22    43     1.50875   108.83572  -178.17866
   44    41 S   CT   _C5_    51     1.57210   112.10250   -49.72831
   45    43 S   C5BC _C23    44     1.42621   127.91206    38.35733
   46    45 S   HA   _H17    45     1.08094   127.38605     0.96733
   47    44 S   CT   _C6_    52     1.56588   108.03133   174.10918
   48    47 S   HC   _H11    53     1.09785   108.73245    90.37943
   49    47 S   HC   _H12    54     1.09740   109.79683   -24.92756
   50    33 S   CT   _C18    76     1.56780   115.02995   151.06660
   51    44 S   CT   _C4_    97     1.55745   107.97117   -66.65265
   52    51 S   HC   _H8_    98     1.09520   111.96627    44.05820
   53    51 S   HC   _H9_    99     1.09561   111.41763   -75.26928
   54    51 S   HC   _H10   100     1.08886   113.84319   164.35490
   55    45 S   C5A  _C24    46     1.37434   106.70669  -179.10803
   56    55 S   HA   _H18    47     1.08027   133.82875  -179.76097
   57    47 S   CT   _C7_    55     1.53607   116.56663  -147.35301
   58    57 S   HC   _H3_    56     1.09103   107.20853  -151.84944
   59    50 S   OH   _O39    77     1.45495   103.57844    65.46625
   60    59 S   HO   _H20    78     0.97297   108.55891   179.10540
   61    55 S   OA   _O38    48     1.35631   110.45922     0.61517
   62    57 S   CT   _C8_    57     1.54377   111.35712   -28.59064
   63    62 S   HC   _H4_    58     1.09757   103.51237   -47.68141
   64    57 S   OH   _O40    95     1.42377   108.76611    94.69548
   65    64 S   HO   _H33    96     0.97326   107.72354    67.54181
   66    43 S   C5A  _C25    49     1.38224   127.16690  -139.36786
   67    66 S   HA   _H19    50     1.08069   133.45078    -0.89263
   68    62 S   CT   _C9_    59     1.60987   117.22150  -156.67823
   69    68 S   CM   _C10    60     1.55042   107.42866    58.97639
   70    69 S   HC   _H13    61     1.08641   116.45273   -30.07704
   71    68 S   CT   _C14    68     1.59712   108.80738   175.32446
   72    71 S   HC   _H5_    69     1.10401   103.00373   -72.14624
   73    68 S   CT   _C29    91     1.53793   112.34374   -55.56242
   74    73 S   HC   _H30    92     1.08741   113.55188   -70.90246
   75    73 S   HC   _H31    93     1.09562   112.11775   168.59076
   76    73 S   HC   _H32    94     1.09503   111.67971    50.72397
   77    69 S   CM   _C11    62     1.34074   130.72726   148.29504
   78    77 S   HC   _H14    63     1.08732   118.67668  -176.10529
   79    71 S   CT   _C15    70     1.53924   115.84734    39.16932
   80    79 S   HC   _H15    71     1.09708   109.58854  -162.33414
   81    79 S   HC   _H16    72     1.08986   113.55696    80.36121
   82    77 S   CO4  _C12    64     1.46871   126.97601     4.69832
   83    82 S   O    _O33    65     1.22299   122.36186  -163.79002
   84    79 S   CO4  _C16    73     1.51346   111.83985   -44.21394
   85    84 S   O    _O35    74     1.22871   119.17260  -116.50361
   86    82 S   OS   _O34    66     1.34938   112.63291    25.45523
   87    62 S   CT   _C17    75     1.59100   110.54129    65.50781
   88    86 S   CT   _C13    67     1.44710   117.86390   -87.30861
   89    87 S   CT   _C26    79     1.56038   112.77987    82.45708
   90    89 S   HC   _H21    80     1.09128   113.27711   -53.70472
   91    89 S   HC   _H22    81     1.09034   112.11991  -174.12897
   92    89 S   HC   _H23    82     1.08728   114.53764    67.87300
   93    88 S   CT   _C27    83     1.53960   104.75662  -175.84527
   94    93 S   HC   _H24    84     1.09732   110.30333    51.17858
   95    93 S   HC   _H25    85     1.09146   112.32828   -66.38289
   96    93 S   HC   _H26    86     1.09413   112.52295   171.01288
   97    88 S   CT   _C28    87     1.54590   108.32543   -62.28314
   98    97 S   HC   _H27    88     1.09650   110.68811   -48.50483
   99    97 S   HC   _H28    89     1.09425   112.16099  -169.27063
  100    97 S   HC   _H29    90     1.09560   111.41713    69.67756
  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
