* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    203    339     619
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063   101.96106   -43.80479
    3     1 S   H    _H1_     3     1.02119    74.43953    62.54210
    4     1 S   H    _H2_     4     1.02097    39.75597  -148.70568
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.84104    97.56365  -178.14649
   34    33 S   HC   _H3_    37     1.09717   103.62813    33.83244
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C21    38     1.55990   112.97626   -80.01066
   39    38 S   HC   _H56    39     1.09775   107.66754   114.45588
   40    38 S   CT   _C17    40     1.54606   107.31972  -129.40576
   41    40 S   HC   _H52    41     1.09799   108.71817  -143.35571
   42    38 S   OS   _O35    96     1.41735   115.87711    -3.10728
   43    40 S   CM   _C7_    42     1.50375   113.10188    99.54298
   44    40 S   CT   _C23    52     1.56928   103.25843   -26.29382
   45    42 S   CO4  _C9_    97     1.36862   115.98282   148.85482
   46    45 S   O    _O29    98     1.22429   125.89338     0.03426
   47    43 S   CM   _C4_    43     1.43937   118.58836   148.86778
   48    47 S   HC   _H35    44     1.08560   118.80540    -0.00000
   49    44 S   CT   _C13    53     1.55788   107.54379   -77.87416
   50    49 S   HC   _H44    54     1.09482   111.55389    44.84990
   51    49 S   HC   _H45    55     1.09736   109.61854   -71.30017
   52    44 S   CT   _C28    92     1.55203   112.37959   164.53008
   53    52 S   HC   _H61    93     1.08065   108.61216   -62.11964
   54    52 S   HC   _H62    94     1.08055   108.61452   177.83427
   55    52 S   HC   _H63    95     1.08154   108.53277    57.87067
   56    45 S   CT   _C27    99     1.49845   110.06782   179.94405
   57    56 S   HC   _H58   100     1.09236   109.85636   -89.97497
   58    56 S   HC   _H59   101     1.09272   109.83046   148.07749
   59    56 S   HC   _H60   102     1.09375   109.33731    29.16163
   60    47 S   CM   _C5_    45     1.33611   120.94919   179.96574
   61    60 S   HC   _H36    46     1.08382   121.37911  -180.00000
   62    49 S   CT   _C10    56     1.52112   113.65444   166.61973
   63    62 S   HC   _H38    57     1.09322   109.74277    63.69736
   64    62 S   HC   _H39    58     1.09418   107.06099   179.01245
   65    60 S   CO4  _C8_    47     1.47772   120.53244    -0.00000
   66    65 S   O    _O28    48     1.22702   120.61814  -179.90513
   67    62 S   CT   _C18    59     1.53825   111.56950   -59.96616
   68    67 S   HC   _H53    60     1.09598   106.29789   -58.54252
   69    65 S   OS   _O30    49     1.37041   117.33593     0.06561
   70    67 S   CT   _C19    61     1.56433   110.25338    56.71871
   71    70 S   HC   _H54    62     1.10052   106.20394    66.16547
   72    43 S   CM   _C6_    50     1.33694   123.79944   -31.12497
   73    72 S   HC   _H37    51     1.08075   125.71979     0.03956
   74    70 S   CT   _C11    63     1.54878   109.91833  -179.20377
   75    74 S   HC   _H40    64     1.09639   110.42773  -173.59127
   76    74 S   HC   _H41    65     1.09299   110.22984    68.94184
   77    33 S   CT   _C25    90     1.58028   118.91485   153.18163
   78    77 S   OM   _O27    91     1.32904   109.94374    33.97895
   79    74 S   CT   _C15    66     1.52224   113.16696   -52.79109
   80    79 S   HC   _H48    67     1.09874   109.28922   177.56370
   81    79 S   HC   _H49    68     1.09755   109.46367   -68.52040
   82    79 S   CT   _C26    69     1.53684   113.28928    54.93129
   83    82 S   CT   _C16    70     1.55352   110.56861    69.99656
   84    83 S   HC   _H50    71     1.09812   108.55175    61.94004
   85    83 S   HC   _H51    72     1.09377   110.84839   -55.52300
   86    82 S   OH   _O34    88     1.43698   106.55050  -173.86531
   87    86 S   HO   _H68    89     0.96696   105.87382   -59.94764
   88    83 S   CT   _C20    73     1.53110   113.75551  -177.42162
   89    88 S   HC   _H55    74     1.09572   109.56371   172.92354
   90    88 S   CT   _C12    75     1.52339   111.72488    51.73503
   91    90 S   HC   _H42    76     1.09731   109.59824  -172.52593
   92    90 S   HC   _H43    77     1.09530   109.99647    70.21928
   93    88 S   OH   _O33    86     1.42554   110.47607   -69.62843
   94    93 S   HO   _H67    87     0.96910   106.57031  -177.00579
   95    90 S   CT   _C14    78     1.52805   111.80957   -52.39292
   96    95 S   HC   _H46    79     1.09526   108.92924  -179.41483
   97    95 S   HC   _H47    80     1.09817   108.34944   -66.28501
   98    67 S   CT   _C24    81     1.58794   112.86079  -175.87997
   99    98 S   CT   _C29    82     1.55621   110.72137   -58.39614
  100    99 S   HC   _H64    83     1.07951   108.43490   -58.36122
  101    99 S   HC   _H65    84     1.07947   108.37156  -178.37997
  102    99 S   HC   _H66    85     1.07986   108.37939    61.63794
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  16   7  22   8   9  12  18   5   4   8   4
  15   7   6   7   3   2   1   3   2   1   1   5   3  12   5   4
   4   2  21   8   2  13   7   1   1  11   6   5   3   1  12   5
   4  17  14   7   6   5   1  10   6   9   6   5   2   1   7   3
   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    70    77    78    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    49    67    70    71    74    77    78    52    42    45  
   38    39    40    44    70    77    78    42  
   36    37  
   37  
    0  
   39    40    41    43    47    72    44    49    70    77    78    52    42    45    46    56  
   40    41    43    44    77    42    45  
   41    43    47    48    60    69    72    73    44    49    50    51    62    70    77    78    52    53    54    55    42    45  
   43    47    72    44    49    77    52    42  
   45    46    56    57    58    59    43    44    77  
   47    48    60    61    65    69    72    73    44    49    77    52  
   49    50    51    62    63    64    67    70    71    74    77    78    52    53    54    55    47    72  
   46    56    57    58    59  
   56    57    58    59  
   48    60    61    65    66    69    72    73  
   60    61    65    72  
   50    51    62    63    64    67    68    70    98    77    78    52    53    54    55  
   51    62    63    64    67    77    52  
   62    63    64    67    77    52  
   53    54    55    62    70    77    78  
   54    55    77  
   55    77  
   77  
   57    58    59  
   58    59  
   59  
    0  
   61    65    66    69    72  
   65    66    69  
   63    64    67    68    70    71    74    82    95    98    99    77  
   64    67    68    70    98  
   67    68    70    98  
   66    69    72    73  
   69    72  
   68    70    71    74    75    76    79    82    83    90    95    96    97    98    99   100   101   102    86    77    78  
   70    71    74    82    95    98    99    77  
   72    73  
   71    74    75    76    79    80    81    82    95    98    99    77    78  
   74    75    76    79    98    77    78  
   73  
    0  
   75    76    79    80    81    82    83    98    86    77    78  
   76    79    80    81    82    77  
   79    80    81    82    77  
   78    79    98  
    0  
   80    81    82    83    84    85    88    95    98    99    86    87  
   81    82    83    98    86  
   82    83    98    86  
   83    84    85    88    89    90    95    96    97    98    99   100   101   102    93    86    87  
   84    85    88    89    90    91    92    95    98    99    93    94    86    87  
   85    88    89    90    98    93    86  
   88    89    90    98    93    86  
   87    88    95    98    99  
   98  
   89    90    91    92    95    96    97    98    93    94  
   90    91    92    95    93    94  
   91    92    95    96    97    98    99    93    94  
   92    95    96    97    98    93  
   95    96    97    98    93  
   94    95  
    0  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   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   268.000  1.529
   33    77   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    44   268.000  1.529
   43    47   380.000  1.444
   43    72   549.000  1.340
   47    48   340.000  1.080
   47    60   549.000  1.340
   60    61   340.000  1.080
   60    65   320.000  1.462
   65    66   570.000  1.229
   65    69   214.000  1.327
   69    72   440.000  1.360
   72    73   340.000  1.080
   44    49   268.000  1.529
   44    77   268.000  1.529
   44    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    98   268.000  1.529
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   268.000  1.529
   82    98   268.000  1.529
   82    86   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   268.000  1.529
   88    89   340.000  1.090
   88    90   268.000  1.529
   88    93   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   93    94   553.000  0.945
   86    87   553.000  0.945
   77    78   570.000  1.307
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   42    45   214.000  1.327
   45    46   570.000  1.229
   45    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  111.63000
   29    33    77    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    77    44    58.35000  112.70000
   33    77    70    58.35000  112.70000
   33    77    78    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    70.00000  112.02700
   38    40    44    58.35000  112.70000
   38    42    45    83.00000  116.90000
   40    38    39    37.50000  110.70000
   40    43    47    70.00000  124.00000
   40    43    72    70.00000  124.00000
   40    44    49    58.35000  112.70000
   40    44    77    58.35000  112.70000
   40    44    52    58.35000  112.70000
   43    40    41    35.00000  109.50000
   43    47    48    35.00000  120.00000
   43    47    60    70.00000  123.01800
   43    72    69    80.00000  120.01400
   43    72    73    35.00000  120.00000
   47    60    61    35.00000  120.00000
   47    60    65    65.00000  118.96000
   60    47    48    35.00000  120.00000
   60    65    66    80.00000  123.72100
   60    65    69    90.00000  111.29400
   65    60    61    40.00000  117.72500
   65    69    72    90.00000  114.22900
   69    65    66    83.00000  123.40000
   69    72    73    55.00000  109.52600
   72    43    47    70.00000  123.01800
   44    40    41    37.50000  110.70000
   44    40    43    70.00000  112.02700
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    62    58.35000  112.70000
   44    77    70    58.35000  112.70000
   44    77    78    50.00000  109.50000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   49    62    63    37.50000  110.70000
   49    62    64    37.50000  110.70000
   49    62    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   62    49    50    37.50000  110.70000
   62    49    51    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    70    58.35000  112.70000
   62    67    98    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    70    77    58.35000  112.70000
   67    98    82    58.35000  112.70000
   67    98    95    58.35000  112.70000
   67    98    99    58.35000  112.70000
   70    67    68    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    79    58.35000  112.70000
   70    77    78    50.00000  109.50000
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    82    83    58.35000  112.70000
   79    82    98    58.35000  112.70000
   79    82    86    50.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    85    37.50000  110.70000
   82    83    88    58.35000  112.70000
   82    98    95    58.35000  112.70000
   82    98    99    58.35000  112.70000
   82    86    87    55.00000  108.50000
   83    88    89    37.50000  110.70000
   83    88    90    58.35000  112.70000
   83    88    93    50.00000  109.50000
   85    83    84    33.00000  107.80000
   88    83    84    37.50000  110.70000
   88    83    85    37.50000  110.70000
   88    90    91    37.50000  110.70000
   88    90    92    37.50000  110.70000
   88    90    95    58.35000  112.70000
   88    93    94    55.00000  108.50000
   90    88    89    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    58.35000  112.70000
   92    90    91    33.00000  107.80000
   95    90    91    37.50000  110.70000
   95    90    92    37.50000  110.70000
   95    98    99    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    67    68    37.50000  110.70000
   98    67    70    58.35000  112.70000
   98    82    83    58.35000  112.70000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98    99   100    37.50000  110.70000
   98    99   101    37.50000  110.70000
   98    99   102    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   93    88    89    35.00000  109.50000
   93    88    90    50.00000  109.50000
   86    82    83    50.00000  109.50000
   86    82    98    50.00000  109.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    44    49    58.35000  112.70000
   77    70    71    37.50000  110.70000
   77    70    74    58.35000  112.70000
   52    44    49    58.35000  112.70000
   52    44    77    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    45    46    83.00000  123.40000
   42    45    56    81.00000  111.40000
   45    56    57    35.00000  109.50000
   45    56    58    35.00000  109.50000
   45    56    59    35.00000  109.50000
   56    45    46    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
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   97    95    98    82   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   98    67    70    71   0.15000  1.0 3.0
   98    67   -70    74   0.56750  1.0 1.0
   98    67   -70    74  -0.07550 -1.0 2.0
   98    67   -70    74   0.20000  1.0 3.0
   98    67    70    77   0.56750  1.0 1.0
   98    67    70    77  -0.07550 -1.0 2.0
   98    67    70    77   0.20000  1.0 3.0
   98    82    83    84   0.15000  1.0 3.0
   98    82    83    85   0.15000  1.0 3.0
   98    82   -83    88   0.56750  1.0 1.0
   98    82   -83    88  -0.07550 -1.0 2.0
   98    82   -83    88   0.20000  1.0 3.0
   98    82    86    87  -0.11600  1.0 1.0
   98    82    86    87  -0.09450 -1.0 2.0
   98    82    86    87   0.21250  1.0 3.0
   93    88    90    91   0.23400  1.0 3.0
   93    88    90    92   0.23400  1.0 3.0
   93    88    90    95   0.86500  1.0 1.0
   93    88    90    95  -0.17500 -1.0 2.0
   93    88    90    95   0.20800  1.0 3.0
   86    82    83    84   0.23400  1.0 3.0
   86    82    83    85   0.23400  1.0 3.0
   86    82    83    88   0.86500  1.0 1.0
   86    82    83    88  -0.17500 -1.0 2.0
   86    82    83    88   0.20800  1.0 3.0
   86    82    98    67   0.86500  1.0 1.0
   86    82    98    67  -0.17500 -1.0 2.0
   86    82    98    67   0.20800  1.0 3.0
   86    82    98    95   0.86500  1.0 1.0
   86    82    98    95  -0.17500 -1.0 2.0
   86    82    98    95   0.20800  1.0 3.0
   86    82    98    99   0.86500  1.0 1.0
   86    82    98    99  -0.17500 -1.0 2.0
   86    82    98    99   0.20800  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33   -38    40   0.56750  1.0 1.0
   77    33   -38    40  -0.07550 -1.0 2.0
   77    33   -38    40   0.20000  1.0 3.0
   77    33    38    42   0.62750  1.0 1.0
   77    33    38    42  -0.30950 -1.0 2.0
   77    33    38    42   0.27300  1.0 3.0
   77    44    49    50   0.15000  1.0 3.0
   77    44    49    51   0.15000  1.0 3.0
   77    44   -49    62   0.56750  1.0 1.0
   77    44   -49    62  -0.07550 -1.0 2.0
   77    44   -49    62   0.20000  1.0 3.0
   77    44    52    53   0.15000  1.0 3.0
   77    44    52    54   0.15000  1.0 3.0
   77    44    52    55   0.15000  1.0 3.0
   77    70    74    75   0.15000  1.0 3.0
   77    70    74    76   0.15000  1.0 3.0
   77    70    74    79   0.56750  1.0 1.0
   77    70    74    79  -0.07550 -1.0 2.0
   77    70    74    79   0.20000  1.0 3.0
   52    44    49    50   0.15000  1.0 3.0
   52    44    49    51   0.15000  1.0 3.0
   52    44    49    62   0.56750  1.0 1.0
   52    44    49    62  -0.07550 -1.0 2.0
   52    44    49    62   0.20000  1.0 3.0
   52    44    77    33   0.56750  1.0 1.0
   52    44    77    33  -0.07550 -1.0 2.0
   52    44    77    33   0.20000  1.0 3.0
   52    44    77    70   0.56750  1.0 1.0
   52    44    77    70  -0.07550 -1.0 2.0
   52    44    77    70   0.20000  1.0 3.0
   52    44    77    78   0.62750  1.0 1.0
   52    44    77    78  -0.30950 -1.0 2.0
   52    44    77    78   0.27300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.61850  1.0 1.0
   42    38    40    43  -0.22750 -1.0 2.0
   42    38    40    43   0.15300  1.0 3.0
   42    38    40    44   0.62750  1.0 1.0
   42    38    40    44  -0.30950 -1.0 2.0
   42    38    40    44   0.27300  1.0 3.0
   42    45    56    57   0.00000  1.0 1.0
   42    45    56    58   0.00000  1.0 1.0
   42    45    56    59   0.00000  1.0 1.0
   46    45    56    57   0.00000  1.0 1.0
   46    45    56    58   0.00000  1.0 1.0
   46    45    56    59   0.00000  1.0 1.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   40    47    43    72   1.10000 -1.0 2.0
   43    48    47    60   1.10000 -1.0 2.0
   65    61    60    47   1.10000 -1.0 2.0
   60    69    65    66  10.50000 -1.0 2.0
   69    73    72    43   1.10000 -1.0 2.0
   42    56    45    46  10.50000 -1.0 2.0
END
