* LIGAND DATABASE FILE (OPLS2005)
*
001     103   105    202    324     614
    1     0 S   NP   _N1_     1    29.22303    96.98534   -17.35162
    2     1 S   H    _HN1     2     1.02771    65.52949   -84.24340
    3     1 S   H    _H1_     3     1.02962    88.12279    26.91562
    4     1 S   H    _H2_     4     1.02839    55.27350   139.18274
    5     1 S   CT   _CA1     5     1.50104   160.34663  -172.20255
    6     5 S   HC   _HA1     6     1.09561   105.30492    18.02114
    7     5 S   CO3  _C1_     7     1.53836   112.27780  -102.42579
    8     7 S   O2Z  _O11     8     1.26383   114.96082   -44.12698
    9     7 S   O2Z  _O12     9     1.26230   114.89451   135.16558
   10     5 S   CT   _CB1    10     1.53090   107.47675   136.16608
   11    10 S   HC   HB11    11     1.09823   109.62194   -48.83894
   12    10 S   HC   HB12    12     1.09831   110.25027    67.75401
   13    10 S   CT   _CG1    13     1.53046   112.67140  -169.88094
   14    13 S   HC   HG11    14     1.09590   110.44549   -58.91113
   15    13 S   HC   HG12    15     1.09619   110.12085    60.39150
   16    13 S   C    _CD1    16     1.51769   112.10484  -179.06121
   17    16 S   O    _OE1    17     1.22763   123.27470    -5.82164
   18    16 S   N    _N2_    18     1.38656   111.78086   173.85353
   19    18 S   H    _HN2    19     1.01598   119.14670     3.50375
   20    18 S   CT1  _CA2    20     1.46094   123.03006  -174.68843
   21    20 S   HC   _HA2    21     1.09674   108.96334   -10.46234
   22    20 S   C    _C2_    22     1.52985   108.92058  -125.55743
   23    22 S   O    _O2_    23     1.22976   122.43073  -140.14853
   24    20 S   CT   _CB2    32     1.53587   111.36147   110.92195
   25    24 S   HC   HB21    33     1.09332   109.15806    53.10942
   26    24 S   HC   HB22    34     1.09328   110.10876   172.40671
   27    22 S   N    _N3_    24     1.38556   112.97539    48.05208
   28    27 S   H    _HN3    25     1.01512   119.14063    -2.83959
   29    24 S   S    _SG2    35     1.82775   110.08110   -67.89852
   30    27 S   CT   _CA3    26     1.45382   122.71710   171.74203
   31    30 S   HC   HA31    27     1.09560   108.50829    38.03188
   32    30 S   HC   HA32    28     1.09467   107.23868   155.14243
   33    29 S   CT   _C10    36     1.88131   103.21350   176.16953
   34    30 S   CO3  _C3_    29     1.53172   114.05864   -84.44238
   35    34 S   O2Z  _O31    30     1.26362   116.15511   -22.35361
   36    34 S   O2Z  _O32    31     1.26437   114.47610   158.19770
   37    33 S   CT   _C9_    37     1.54599   111.92191   -52.80576
   38    37 S   HC   _H14    38     1.09809   109.37146   177.77921
   39    37 S   HC   _H15    39     1.09587   111.13567    63.06678
   40    33 S   CT   _C11    85     1.55111   108.24825    66.31300
   41    40 S   HC   _H16    86     1.09811   110.53832   -66.11917
   42    40 S   HC   _H17    87     1.09654   111.49563   179.67918
   43    37 S   CT   _C8_    40     1.52729   114.26116   -60.94660
   44    43 S   HC   _H12    41     1.09325   108.78891    68.44894
   45    43 S   HC   _H13    42     1.09558   107.46020  -176.90181
   46    40 S   CO4  _C12    88     1.51569   115.40199    57.22990
   47    46 S   O    _O33    89     1.22314   124.49889    75.31968
   48    43 S   CT   _C7_    43     1.54336   113.15980   -55.45036
   49    48 S   HC   _H5_    44     1.09988   106.14477   -65.15790
   50    46 S   OS   _O34    90     1.36399   109.81926  -104.35672
   51    48 S   CT   _C6_    45     1.55471   111.04017    50.54923
   52    51 S   HC   _H4_    46     1.09632   107.96307    66.22249
   53    50 S   CT   _C13    91     1.43763   116.05620   178.19680
   54    53 S   HC   _H18    92     1.09526   108.49324    70.35883
   55    53 S   HC   _H19    93     1.09635   110.24583   -49.45896
   56    33 S   CT   _C5_    47     1.57744   106.53389  -170.69469
   57    56 S   HC   _H3_    48     1.09927   107.83791   -51.73353
   58    51 S   CT   _C23    53     1.54180   111.21356  -178.55734
   59    58 S   HC   _H8_    54     1.09502   110.51479    67.88869
   60    53 S   CT   _C14    94     1.52145   108.14837  -170.75004
   61    60 S   HC   _H20    95     1.09462   111.28822   -50.73612
   62    60 S   HC   _H21    96     1.09371   111.68465  -175.04726
   63    56 S   CT   _C4_    49     1.54389   112.83483  -167.68162
   64    63 S   HC   _H9_    50     1.09301   112.38355   -66.97389
   65    63 S   HC   _H10    51     1.09383   111.24330   171.94032
   66    63 S   HC   _H11    52     1.09240   112.07934    54.72072
   67    58 S   CT   _C22    55     1.52948   112.63539   -52.80584
   68    67 S   HC   _H31    56     1.09553   109.89035   -67.84837
   69    67 S   HC   _H32    57     1.09503   107.49988   178.19789
   70    58 S   OH   _O35    83     1.42575   109.19382  -173.84324
   71    70 S   HO   _H33    84     0.97232   107.65758  -178.26235
   72    60 S   NP   _N4_    97     1.49815   108.73977    66.73925
   73    72 S   H    _H22    98     1.02934   109.65942    63.33036
   74    72 S   H    _H23    99     1.02894   108.75061   -51.86059
   75    67 S   CT   _C21    58     1.53918   110.99703    56.47923
   76    75 S   HC   _H7_    59     1.10318   105.03714    53.35288
   77    72 S   CT   _C15   100     1.48787   114.46727  -173.79632
   78    77 S   HC   _H24   101     1.09232   108.23950    61.68184
   79    77 S   HC   _H25   102     1.09194   107.25091  -178.79472
   80    77 S   HC   _H26   103     1.09229   108.30991   -59.37179
   81    75 S   CT   _C20    60     1.57118   114.87600   166.93240
   82    81 S   CT   _C19    61     1.55188   108.52020  -176.93292
   83    82 S   HC   _H6_    62     1.09856   108.23479    65.68732
   84    81 S   CO4  _C25    76     1.53223   111.97669    57.86507
   85    84 S   O    _O36    77     1.22713   125.28634   130.72960
   86    84 S   HC   _H37    78     1.10350   115.51578   -51.87894
   87    81 S   CT   _C24    79     1.54785   110.86400   -58.33758
   88    87 S   HC   _H34    80     1.09547   111.22194   -53.51619
   89    87 S   HC   _H35    81     1.09642   111.38677  -173.67913
   90    87 S   HC   _H36    82     1.09502   112.25180    67.77473
   91    82 S   CT   _C18    63     1.52504   113.24880   -53.82222
   92    91 S   HC   _H29    64     1.09552   110.76365   -67.37715
   93    91 S   HC   _H30    65     1.09758   109.31979   177.60461
   94    82 S   OH   _O37    74     1.42560   111.45790  -178.32077
   95    94 S   HO   _H38    75     0.97209   107.83568   178.73082
   96    91 S   CT   _C17    66     1.52530   111.52822    56.87865
   97    96 S   HC   _H27    67     1.09816   108.22152    66.29183
   98    96 S   HC   _H28    68     1.09640   107.91879  -179.01325
   99    48 S   CT   _C16    69     1.58938   113.42390   178.55816
  100    99 S   CT   _C26    70     1.55002   110.29321   -59.09177
  101   100 S   HC   _H39    71     1.09251   112.83040   -58.73528
  102   100 S   HC   _H40    72     1.09014   112.54708   179.87180
  103   100 S   HC   _H41    73     1.09454   111.59373    62.05306
  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  13   5   4   3
  22   2   1   1  16   7   6  11   5   4  12   5   4   7   2  22
   8   7  18   8   9   5   4  10   5  11   6   9   5   4   3   2
   1   1  13   6   5   2   1   6   5   4  21   7   3   2   1   1
  17  17   8   9   2   1   6   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    63    40    41    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    51    52    56    57    63    64    65    66    58    40    41    42    46    47    50  
   35    36  
   36  
    0  
   38    39    43    44    45    48    49    51    56    57    63    99    40    41    42    46  
   39    43    44    45    48    56    40  
   43    44    45    48    56    40  
   41    42    46    47    50    53    43    51    56    57    63  
   42    46    47    50    56  
   46    47    50    56  
   44    45    48    49    51    52    56    58    75    96    99   100  
   45    48    49    51    99  
   48    49    51    99  
   47    50    53    54    55    60    56  
   50    53  
   49    51    52    56    57    63    58    59    67    75    76    81    91    96    97    98    99   100   101   102   103    70  
   51    52    56    58    75    96    99   100  
   53    54    55    60    61    62    72  
   52    56    57    63    64    65    66    58    59    67    68    69    75    96    99   100    70    71  
   56    57    63    58    59    67    99    70  
   54    55    60    61    62    72    73    74    77  
   55    60    61    62    72  
   60    61    62    72  
   57    63    64    65    66    58    59    67    99    70  
   63    64    65    66    58  
   59    67    68    69    75    76    81    99    70    71    63  
   67    68    69    75    70    71  
   61    62    72    73    74    77    78    79    80  
   62    72    73    74    77  
   72    73    74    77  
   64    65    66  
   65    66  
   66  
    0  
   68    69    75    76    81    82    96    99   100    84    87    70    71  
   69    75    76    81    99    70  
   75    76    81    99    70  
   71    75  
    0  
   73    74    77    78    79    80  
   74    77    78    79    80  
   77    78    79    80  
   76    81    82    83    91    96    97    98    99   100   101   102   103    94    84    85    86    87    88    89    90  
   81    82    96    99   100    84    87  
   78    79    80  
   79    80  
   80  
    0  
   82    83    91    92    93    96    99   100    94    95    84    85    86    87    88    89    90  
   83    91    92    93    96    97    98    99    94    95    84    85    86    87    88    89    90  
   91    92    93    96    94    95    84    87  
   85    86    87    88    89    90    91    94    99  
   86    87  
   87  
   88    89    90    91    94    99  
   89    90  
   90  
    0  
   92    93    96    97    98    99   100    94    95  
   93    96    97    98    99    94  
   96    97    98    99    94  
   95    96  
    0  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.414400   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.054400   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   73   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   86   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  103   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   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    99   268.000  1.529
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    58   268.000  1.529
   56    57   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   58    59   340.000  1.090
   58    67   268.000  1.529
   58    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    81   268.000  1.529
   75    99   268.000  1.529
   81    82   268.000  1.529
   81    84   317.000  1.522
   81    87   268.000  1.529
   82    83   340.000  1.090
   82    91   268.000  1.529
   82    94   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    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   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   94    95   553.000  0.945
   84    85   570.000  1.229
   84    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   70    71   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    72   367.000  1.471
   72    73   434.000  1.010
   72    74   434.000  1.010
   72    77   367.000  1.471
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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  111.63000
   29    33    56    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    56    51    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    63.00000  111.10000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    48    58.35000  112.70000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    51    58.35000  112.70000
   43    48    99    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    56    58.35000  112.70000
   48    51    58    58.35000  112.70000
   48    99    75    58.35000  112.70000
   48    99    96    58.35000  112.70000
   48    99   100    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    63    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    67    58.35000  112.70000
   51    58    70    50.00000  109.50000
   56    33    37    58.35000  112.70000
   56    51    52    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   63    56    57    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    56    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    75    58.35000  112.70000
   58    70    71    55.00000  108.50000
   67    58    59    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    81    58.35000  112.70000
   67    75    99    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    81    82    58.35000  112.70000
   75    81    84    63.00000  111.10000
   75    81    87    58.35000  112.70000
   75    99    96    58.35000  112.70000
   75    99   100    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    82    83    37.50000  110.70000
   81    82    91    58.35000  112.70000
   81    82    94    50.00000  109.50000
   81    84    85    80.00000  120.40000
   81    84    86    35.00000  115.00000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   82    91    92    37.50000  110.70000
   82    91    93    37.50000  110.70000
   82    91    96    58.35000  112.70000
   82    94    95    55.00000  108.50000
   91    82    83    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    58.35000  112.70000
   93    91    92    33.00000  107.80000
   96    91    92    37.50000  110.70000
   96    91    93    37.50000  110.70000
   96    99   100    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    48    49    37.50000  110.70000
   99    48    51    58.35000  112.70000
   99    75    76    37.50000  110.70000
   99    75    81    58.35000  112.70000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   100   101    37.50000  110.70000
   99   100   102    37.50000  110.70000
   99   100   103    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   94    82    83    35.00000  109.50000
   94    82    91    50.00000  109.50000
   84    81    82    63.00000  111.10000
   86    84    85    35.00000  123.00000
   87    81    82    58.35000  112.70000
   87    81    84    63.00000  111.10000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   70    58    59    35.00000  109.50000
   70    58    67    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    46    47    80.00000  120.40000
   40    46    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    50    53    83.00000  116.90000
   50    46    47    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    72    80.00000  111.20000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    72    73    35.00000  109.50000
   60    72    74    35.00000  109.50000
   60    72    77    75.00000  113.01200
   62    60    61    33.00000  107.80000
   72    60    61    35.00000  109.50000
   72    60    62    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   74    72    73    35.00000  109.50000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
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   46    50    53    60  -0.47000 -1.0 2.0
   46    50    53    60   0.11750  1.0 3.0
   47    46    50    53   3.00000 -1.0 2.0
   50    53    60    61   0.23400  1.0 3.0
   50    53    60    62   0.23400  1.0 3.0
   50    53    60    72   1.69300  1.0 1.0
   50    53    60    72  -0.48450 -1.0 2.0
   53    60    72    73   0.17350  1.0 3.0
   53    60    72    74   0.17350  1.0 3.0
   53    60    72    77   0.47100  1.0 1.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    72   0.19200  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    72   0.19200  1.0 3.0
   60    72    77    78   0.15000  1.0 3.0
   60    72    77    79   0.15000  1.0 3.0
   60    72    77    80   0.15000  1.0 3.0
   61    60    72    73   0.13050  1.0 3.0
   61    60    72    74   0.13050  1.0 3.0
   61    60    72    77   0.15000  1.0 3.0
   62    60    72    73   0.13050  1.0 3.0
   62    60    72    74   0.13050  1.0 3.0
   62    60    72    77   0.15000  1.0 3.0
   73    72    77    78   0.13050  1.0 3.0
   73    72    77    79   0.13050  1.0 3.0
   73    72    77    80   0.13050  1.0 3.0
   74    72    77    78   0.13050  1.0 3.0
   74    72    77    79   0.13050  1.0 3.0
   74    72    77    80   0.13050  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
   35    30    34    36  10.50000 -1.0 2.0
   81    86    84    85  10.50000 -1.0 2.0
   40    50    46    47  10.50000 -1.0 2.0
END
