* LIGAND DATABASE FILE (OPLS2005)
*
001     108   111    214    348     649
    1     0 S   NP   _N1_     1    28.92886    96.24785   -25.15104
    2     1 S   H    _HN1     2     1.02948    70.21505     6.16669
    3     1 S   H    _H1_     3     1.02827    36.92068  -175.92383
    4     1 S   H    _H2_     4     1.02800   118.79197   -94.45567
    5     1 S   CT   _CA1     5     1.50136   125.83263   107.57769
    6     5 S   HC   _HA1     6     1.09573   105.15668    97.98812
    7     5 S   CO3  _C1_     7     1.53761   112.39745   -22.24800
    8     7 S   O2Z  _O11     8     1.26383   115.00343   -43.79160
    9     7 S   O2Z  _O12     9     1.26222   114.93669   135.11022
   10     5 S   CT   _CB1    10     1.53039   107.38969  -144.03820
   11    10 S   HC   HB11    11     1.09848   109.35487   -48.92327
   12    10 S   HC   HB12    12     1.09810   110.47664    67.65834
   13    10 S   CT   _CG1    13     1.53049   112.66391  -169.80991
   14    13 S   HC   HG11    14     1.09561   110.81733   -67.59395
   15    13 S   HC   HG12    15     1.09662   109.65974    51.68486
   16    13 S   C    _CD1    16     1.51814   111.72245   172.25412
   17    16 S   O    _OE1    17     1.22783   123.05995    16.42307
   18    16 S   N    _N2_    18     1.38624   112.02481  -163.69668
   19    18 S   H    _HN2    19     1.01591   119.07166     0.66558
   20    18 S   CT1  _CA2    20     1.46249   123.29270   176.37869
   21    20 S   HC   _HA2    21     1.09744   109.24146     8.94826
   22    20 S   C    _C2_    22     1.53718   109.01315  -106.59929
   23    22 S   O    _O2_    23     1.23093   122.18178  -149.54197
   24    20 S   CT   _CB2    32     1.53484   111.65800   130.89865
   25    24 S   HC   HB21    33     1.09395   109.48611    58.18694
   26    24 S   HC   HB22    34     1.09405   109.49425   176.93573
   27    22 S   N    _N3_    24     1.38294   113.94435    37.96692
   28    27 S   H    _HN3    25     1.01530   119.62243    -3.27363
   29    24 S   S    _SG2    35     1.82975   111.03174   -63.66653
   30    27 S   CT   _CA3    26     1.45280   123.33160   177.23324
   31    30 S   HC   HA31    27     1.09546   107.50669   -65.03940
   32    30 S   HC   HA32    28     1.09554   108.01161    51.43221
   33    29 S   CT   _C19    36     1.91358   102.47683   169.95069
   34    30 S   CO3  _C3_    29     1.52991   114.01387   173.42992
   35    34 S   O2Z  _O31    30     1.26392   116.07706    -0.60328
   36    34 S   O2Z  _O32    31     1.26422   114.42131   179.46295
   37    33 S   CM   _C4_    37     1.51649   103.80689   -66.00338
   38    37 S   HC   _H35    38     1.08962   116.64857    87.50574
   39    33 S   CT   _C12    55     1.54413   109.48050    54.71923
   40    39 S   HC   _H44    56     1.09617   111.60834   -59.85364
   41    39 S   HC   _H45    57     1.09748   110.07822  -174.93245
   42    37 S   CMA  _C5_    39     1.35086   125.24309   -91.53754
   43    42 S   OM   _O28    40     1.26211   129.24895   179.06854
   44    42 S   CT   _C8_    41     1.52986   119.53461    -1.88834
   45    44 S   HC   _H36    42     1.09992   110.25382   125.71847
   46    44 S   HC   _H37    43     1.10098   108.43457  -118.49480
   47    44 S   CT   _C9_    44     1.54256   116.97246     2.72836
   48    47 S   HC   _H38    45     1.09629   109.07791    92.13499
   49    47 S   HC   _H39    46     1.09716   107.80746  -154.33187
   50    33 S   CT   _C21    47     1.58951   111.80406   174.97726
   51    50 S   CT   _C17    48     1.58159   108.93475   -60.32978
   52    51 S   HC   _H52    49     1.09836   106.69975    58.10637
   53    50 S   CT   _C23   105     1.56549   111.03718   178.04555
   54    53 S   HC   _H54   106     1.09192   113.14644    76.89054
   55    53 S   HC   _H55   107     1.09403   112.81815   -43.38932
   56    53 S   HC   _H56   108     1.09473   111.38493  -162.15176
   57    51 S   CT   _C15    50     1.56632   111.57629   -57.20574
   58    57 S   HC   _H50    51     1.09337   109.53497   -67.78221
   59    51 S   CT   _C18    71     1.55751   116.49760   172.42723
   60    59 S   HC   _H53    72     1.09587   108.81340   -59.99963
   61    57 S   CT   _C10    52     1.54023   112.70482    50.56384
   62    61 S   HC   _H40    53     1.09722   109.28744  -168.70092
   63    61 S   HC   _H41    54     1.09637   109.86727    75.80268
   64    57 S   CT   _C16    58     1.53755   108.27407   173.73399
   65    64 S   HC   _H51    59     1.10252   105.89530   -58.98567
   66    59 S   OH   _O33    73     1.41912   111.76214    57.48478
   67    66 S   HO   _H73    74     0.97225   107.75732  -176.93235
   68    64 S   CT   _C11    60     1.52461   118.71184  -177.75450
   69    68 S   HC   _H42    61     1.09488   111.94808    77.83223
   70    68 S   HC   _H43    62     1.09590   111.50432   -42.73717
   71    68 S   CT   _C13    63     1.54228   104.34163  -161.87096
   72    71 S   HC   _H46    64     1.09540   108.67809   128.96491
   73    71 S   HC   _H47    65     1.09624   109.95163  -113.41849
   74    71 S   CT   _C20    66     1.55068   106.63788     7.58494
   75    64 S   CT   _C22    67     1.54934   113.84169    60.05330
   76    74 S   CO4  _C6_    79     1.53381   113.95862   149.29056
   77    76 S   O    _O29    80     1.23227   121.38591  -144.39067
   78    74 S   OH   _O34   103     1.43072   107.13424   -96.11360
   79    78 S   HO   _H74   104     0.97253   108.29131   179.64502
   80    75 S   CT   _C14    68     1.54501   107.39519   -60.14107
   81    80 S   HC   _H48    69     1.09634   110.10105   -65.19138
   82    80 S   HC   _H49    70     1.09645   109.59746   177.64034
   83    75 S   CT   _C24    75     1.55591   112.88968    61.89414
   84    83 S   HC   _H57    76     1.09468   112.64623    71.70311
   85    83 S   HC   _H58    77     1.09138   113.28403   -48.72439
   86    83 S   HC   _H59    78     1.09528   110.93438  -168.66965
   87    76 S   CT   _C26    81     1.52154   117.26563    39.87694
   88    87 S   HC   _H63    82     1.09458   108.89911    51.29722
   89    87 S   HC   _H64    83     1.09364   109.07266   -70.37496
   90    87 S   OS   _O35    84     1.42957   108.86132   170.49879
   91    90 S   CO4  _C7_    85     1.36530   115.29221   179.82754
   92    91 S   O    _O30    86     1.22310   125.68451    -0.02798
   93    91 S   CT   _C27    87     1.51128   108.95648   179.97202
   94    93 S   HC   _H65    88     1.09578   108.15205    59.08165
   95    93 S   HC   _H66    89     1.09578   108.15601   -58.89399
   96    93 S   CT   _C29    90     1.52766   111.98211  -179.89913
   97    96 S   HC   _H69    91     1.09722   109.65186    58.41210
   98    96 S   HC   _H70    92     1.09723   109.65438   -58.40929
   99    96 S   CT   _C30    93     1.52910   111.35460  -180.00000
  100    99 S   HC   _H71    94     1.09685   109.57201    58.64254
  101    99 S   HC   _H72    95     1.09684   109.57369   -58.62924
  102    99 S   CT   _C28    96     1.52846   111.33245  -180.00000
  103   102 S   HC   _H67    97     1.09623   109.86590   -58.85270
  104   102 S   HC   _H68    98     1.09622   109.86540    58.87600
  105   102 S   CT   _C25    99     1.52037   111.49585  -180.00000
  106   105 S   HC   _H60   100     1.09468   111.00216   -60.25405
  107   105 S   HC   _H61   101     1.09469   111.00129    60.26650
  108   105 S   HC   _H62   102     1.09449   110.26128  -180.00000
  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  12   5   4   3
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18
   8   5   1  11   6   5  11   5   4  16  12  10   5   4   1   6
   2   1   3   2   1   1   6   3   2   6   8   4   9   5   4   9
   5   4   9   5   4   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    61    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    61    62    63    39    40    41    59    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    61    39    40    41    53  
   42    43    44    50    39  
   40    41    64    53    42    47    50    51    57    58    61    62    63  
   41    50    57    61    62    63  
   50    57    61    62    63  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    59    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    61    64    80    59    60    66    53    54    55    56  
   52    57    58    61    62    63    64    65    68    75    80    81    82    59    60    66    67    53    54    55    56  
   57    58    61    64    80    59    60    66    53  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    61    62    63    64    65    68    69    70    71    74    75    80    59    60    66    83  
   61    62    63    64    65    68    75    59  
   60    66    67    83    61    64    74    75    80    81    82  
   66    67    75    80    81    82  
   62    63    64    65    68    75  
   63    64  
   64  
   65    68    69    70    71    72    73    74    75    80    81    82    83    84    85    86    76    78  
   68    69    70    71    74    75    80    83  
   67    75    80    81    82  
   80  
   69    70    71    72    73    74    75    80    83    76    78  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74    75    80    83    76    77    87    78    79  
   73    74    75    76    78  
   74    75    76    78  
   75    80    81    82    83    84    85    86    76    77    87    88    89    90    78    79  
   80    81    82    83    84    85    86    76    77    87    78    79  
   77    87    88    89    90    91    78    79    80    83  
   87    88    89    90    78  
   79    80    83    87  
    0  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92    93  
   89    90    91  
   90    91  
   91    92    93    94    95    96  
   92    93    94    95    96    97    98    99  
   93    94    95    96  
   94    95    96    97    98    99   100   101   102  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102   103   104   105  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107   108  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    75   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    76   317.000  1.522
   74    78   320.000  1.410
   75    80   268.000  1.529
   75    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    59   268.000  1.529
   59    60   340.000  1.090
   59    66   320.000  1.410
   66    67   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   76    77   570.000  1.229
   76    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   320.000  1.410
   90    91   214.000  1.327
   91    92   570.000  1.229
   91    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   78    79   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    59    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    61    58.35000  112.70000
   51    57    64    58.35000  112.70000
   51    59    80    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    66    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    39    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    68    58.35000  112.70000
   57    64    75    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    61    58.35000  112.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    58.35000  112.70000
   64    75    74    58.35000  112.70000
   64    75    80    58.35000  112.70000
   64    75    83    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    76    63.00000  111.10000
   71    74    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    80    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    76    77    80.00000  120.40000
   74    76    87    70.00000  116.00000
   74    78    79    55.00000  108.50000
   75    64    65    37.50000  110.70000
   75    64    68    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    59    58.35000  112.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   80    59    60    37.50000  110.70000
   80    59    66    50.00000  109.50000
   82    80    81    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    57    58.35000  112.70000
   59    80    81    37.50000  110.70000
   59    80    82    37.50000  110.70000
   59    66    67    55.00000  108.50000
   66    59    60    35.00000  109.50000
   83    75    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   76    74    75    63.00000  111.10000
   76    87    88    35.00000  109.50000
   76    87    89    35.00000  109.50000
   76    87    90    90.00000  108.74100
   87    76    77    80.00000  120.40000
   87    90    91    83.00000  116.90000
   89    87    88    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   90    91    92    83.00000  123.40000
   90    91    93    81.00000  111.40000
   91    93    94    35.00000  109.50000
   91    93    95    35.00000  109.50000
   91    93    96    63.00000  111.10000
   93    91    92    80.00000  120.40000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   78    74    75    50.00000  109.50000
   78    74    76    90.00000  109.61100
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
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   80    59    66    67   0.21250  1.0 3.0
   81    80    59    51   0.15000  1.0 3.0
   81    80    59    60   0.15000  1.0 3.0
   81    80    59    66   0.23400  1.0 3.0
   82    80    59    51   0.15000  1.0 3.0
   82    80    59    60   0.15000  1.0 3.0
   82    80    59    66   0.23400  1.0 3.0
   59    51    57    58   0.15000  1.0 3.0
   59    51    57    61   0.56750  1.0 1.0
   59    51    57    61  -0.07550 -1.0 2.0
   59    51    57    61   0.20000  1.0 3.0
   59    51   -57    64   0.56750  1.0 1.0
   59    51   -57    64  -0.07550 -1.0 2.0
   59    51   -57    64   0.20000  1.0 3.0
   60    59    66    67   0.19450  1.0 3.0
   83    75    80    81   0.15000  1.0 3.0
   83    75    80    82   0.15000  1.0 3.0
   83    75    80    59   0.56750  1.0 1.0
   83    75    80    59  -0.07550 -1.0 2.0
   83    75    80    59   0.20000  1.0 3.0
   76    74    75    64  -0.95700  1.0 1.0
   76    74    75    64  -0.18200 -1.0 2.0
   76    74    75    64   0.29450  1.0 3.0
   76    74    75    80  -0.95700  1.0 1.0
   76    74    75    80  -0.18200 -1.0 2.0
   76    74    75    80   0.29450  1.0 3.0
   76    74    75    83  -0.95700  1.0 1.0
   76    74    75    83  -0.18200 -1.0 2.0
   76    74    75    83   0.29450  1.0 3.0
   76    74    78    79   0.91850  1.0 1.0
   76    74    78    79   0.57950  1.0 3.0
   76    87    90    91  -1.80650  1.0 1.0
   76    87    90    91   0.63900 -1.0 2.0
   76    87    90    91   0.03650  1.0 3.0
   77    76    87    88   0.00000  1.0 1.0
   77    76    87    89   0.00000  1.0 1.0
   77    76    87    90   0.30150 -1.0 2.0
   87    90    91    92   3.00000 -1.0 2.0
   87    90    91    93   1.63150  1.0 1.0
   87    90    91    93   2.92000 -1.0 2.0
   88    87    90    91   0.08050  1.0 3.0
   89    87    90    91   0.08050  1.0 3.0
   90    91    93    94   0.00000  1.0 1.0
   90    91    93    95   0.00000  1.0 1.0
   90    91    93    96   0.36750  1.0 3.0
   91    93    96    97  -0.11250  1.0 3.0
   91    93    96    98  -0.11250  1.0 3.0
   91    93    96    99  -0.95700  1.0 1.0
   91    93    96    99  -0.18200 -1.0 2.0
   91    93    96    99   0.29450  1.0 3.0
   92    91    93    94   0.00000  1.0 1.0
   92    91    93    95   0.00000  1.0 1.0
   92    91    93    96   0.30150 -1.0 2.0
   93    96    99   100   0.15000  1.0 3.0
   93    96    99   101   0.15000  1.0 3.0
   93    96    99   102   0.56750  1.0 1.0
   93    96    99   102  -0.07550 -1.0 2.0
   93    96    99   102   0.20000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  1.0 3.0
   96    99   102   103   0.15000  1.0 3.0
   96    99   102   104   0.15000  1.0 3.0
   96    99   102   105   0.56750  1.0 1.0
   96    99   102   105  -0.07550 -1.0 2.0
   96    99   102   105   0.20000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.15000  1.0 3.0
   97    96    99   102   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.15000  1.0 3.0
   98    96    99   102   0.15000  1.0 3.0
   99   102   105   106   0.15000  1.0 3.0
   99   102   105   107   0.15000  1.0 3.0
   99   102   105   108   0.15000  1.0 3.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   105   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   105   0.15000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   108   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   108   0.15000  1.0 3.0
   78    74    75    64   0.86500  1.0 1.0
   78    74    75    64  -0.17500 -1.0 2.0
   78    74    75    64   0.20800  1.0 3.0
   78    74    75    80   0.86500  1.0 1.0
   78    74    75    80  -0.17500 -1.0 2.0
   78    74    75    80   0.20800  1.0 3.0
   78    74    75    83   0.86500  1.0 1.0
   78    74    75    83  -0.17500 -1.0 2.0
   78    74    75    83   0.20800  1.0 3.0
   78    74    76    77   0.30150 -1.0 2.0
   78    74    76    87   0.55300  1.0 1.0
   78    74    76    87   1.25850 -1.0 2.0
   78    74    76    87  -0.23600  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    59   0.56750  1.0 1.0
   53    50    51    59  -0.07550 -1.0 2.0
   53    50    51    59   0.20000  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   74    87    76    77  10.50000 -1.0 2.0
   90    93    91    92  10.50000 -1.0 2.0
END
