* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    203    335     614
    1     0 S   NP   _N1_     1    28.62348    97.00766   -22.35249
    2     1 S   H    _HN1     2     1.02786    97.62996   -91.98063
    3     1 S   H    _H1_     3     1.02949    71.50461    14.89549
    4     1 S   H    _H2_     4     1.02828    42.72323   159.85754
    5     1 S   CT   _CA1     5     1.50113   146.70609   114.12450
    6     5 S   HC   _HA1     6     1.09572   105.19717    90.56917
    7     5 S   CO3  _C1_     7     1.53788   112.44209   -29.67380
    8     7 S   O2Z  _O11     8     1.26373   115.00649   -42.93872
    9     7 S   O2Z  _O12     9     1.26237   114.94814   136.16882
   10     5 S   CT   _CB1    10     1.53076   107.41594  -151.44800
   11    10 S   HC   HB11    11     1.09834   109.38131   -49.64518
   12    10 S   HC   HB12    12     1.09813   110.44719    66.96331
   13    10 S   CT   _CG1    13     1.52991   112.60527  -170.61410
   14    13 S   HC   HG11    14     1.09582   110.63909   -65.52423
   15    13 S   HC   HG12    15     1.09669   109.78562    53.71181
   16    13 S   C    _CD1    16     1.51800   112.19793   174.17516
   17    16 S   O    _OE1    17     1.22735   123.27932     7.19844
   18    16 S   N    _N2_    18     1.38648   111.68823  -172.91573
   19    18 S   H    _HN2    19     1.01585   118.95649     1.71463
   20    18 S   CT1  _CA2    20     1.46220   123.39297   177.67712
   21    20 S   HC   _HA2    21     1.09740   109.36035     3.32926
   22    20 S   C    _C2_    22     1.53590   108.67842  -112.15199
   23    22 S   O    _O2_    23     1.23065   122.25776  -148.44981
   24    20 S   CT   _CB2    32     1.53567   111.60462   125.32590
   25    24 S   HC   HB21    33     1.09464   109.20582    55.99958
   26    24 S   HC   HB22    34     1.09250   109.59025   174.88691
   27    22 S   N    _N3_    24     1.38320   113.75030    39.02552
   28    27 S   H    _HN3    25     1.01579   119.58761    -3.35439
   29    24 S   S    _SG2    35     1.82963   110.96310   -64.33195
   30    27 S   CT   _CA3    26     1.45285   123.22531   177.14056
   31    30 S   HC   HA31    27     1.09548   107.51147   -64.64660
   32    30 S   HC   HA32    28     1.09557   107.98689    51.79514
   33    29 S   CT   _C14    36     1.89792   103.43545  -171.32409
   34    30 S   CO3  _C3_    29     1.52963   114.07407   173.79626
   35    34 S   O2Z  _O31    30     1.26378   116.06942    -0.49535
   36    34 S   O2Z  _O32    31     1.26428   114.41231   179.56524
   37    33 S   CT   _C15    37     1.54848   109.44828   -49.34628
   38    37 S   HC   _H22    38     1.09500   111.94732   175.57256
   39    37 S   HC   _H23    39     1.09427   111.61631    57.63343
   40    33 S   CT   _C13    54     1.54400   106.18358    69.97371
   41    40 S   HC   _H20    55     1.09756   110.64555    52.64556
   42    40 S   HC   _H21    56     1.09591   110.93100   -64.94974
   43    37 S   CO4  _C16    40     1.51141   112.33656   -65.07891
   44    43 S   O    _O34    41     1.22918   121.86089   150.80173
   45    43 S   CM   _C17    42     1.47872   118.18976   -32.11911
   46    45 S   HC   _H24    43     1.08349   117.94631  -177.05669
   47    45 S   CM   _C18    44     1.33842   120.37764     2.21647
   48    47 S   HC   _H25    45     1.08862   116.90411  -179.22747
   49    33 S   CT   _C19    46     1.60016   110.63214  -169.71723
   50    49 S   CT   _C20    47     1.60110   110.34082  -169.72475
   51    50 S   HC   _H7_    48     1.09817   106.13237   -65.12840
   52    49 S   CT   _C28    98     1.55554   111.88961   -47.44957
   53    52 S   HC   _H35    99     1.09337   112.29156   -57.80295
   54    52 S   HC   _H36   100     1.09477   111.92894  -178.65259
   55    52 S   HC   _H37   101     1.09513   112.57613    63.74096
   56    50 S   CT   _C11    49     1.55373   111.61000    52.48919
   57    56 S   HC   _H6_    50     1.09797   107.33374    63.21206
   58    50 S   CT   _C21    69     1.55681   115.74012   178.25617
   59    58 S   HC   _H8_    70     1.09326   110.61132   -59.04086
   60    56 S   CT   _C12    51     1.53219   112.16447   -53.66372
   61    60 S   HC   _H18    52     1.09519   110.84960   -68.21093
   62    60 S   HC   _H19    53     1.09751   109.42199   175.25918
   63    56 S   CT   _C10    57     1.54681   113.99524  -179.64946
   64    63 S   HC   _H5_    58     1.10054   106.93190  -170.59552
   65    58 S   OH   _O38    71     1.42558   110.59393    59.75243
   66    65 S   HO   _H34    72     0.97250   107.79084  -177.58071
   67    63 S   CT   _C9_    59     1.54132   115.40151    70.72677
   68    67 S   HC   _H16    60     1.09505   110.92579   -35.79001
   69    67 S   HC   _H17    61     1.09537   111.24885    83.82343
   70    67 S   CT   _C8_    62     1.53389   106.02015  -153.82240
   71    70 S   HC   _H4_    63     1.09453   109.70651   127.83807
   72    70 S   CT   _C24    64     1.52746   106.76181     2.93785
   73    63 S   CT   _C23    65     1.54850   114.69583   -50.20286
   74    72 S   OS   _O35    77     1.42704   103.58703   -93.86870
   75    72 S   CO4  _C25    91     1.53782   112.78699   147.66755
   76    75 S   O    _O36    92     1.23268   121.32174   -36.26457
   77    73 S   CT   _C22    66     1.54327   109.75156    48.30648
   78    77 S   HC   _H26    67     1.09851   109.92044  -174.44741
   79    77 S   HC   _H27    68     1.09821   111.03487    70.29072
   80    73 S   CT   _C27    73     1.53971   110.72139   -73.38932
   81    80 S   HC   _H31    74     1.09510   111.91987   -59.86900
   82    80 S   HC   _H32    75     1.09421   111.07860   179.54458
   83    80 S   HC   _H33    76     1.09414   112.08648    59.87009
   84    74 S   CO   _C7_    78     1.42662   106.63794   -24.98371
   85    84 S   HC   _H3_    79     1.09588   108.53791  -100.45079
   86    75 S   CT   _C26    93     1.52079   117.36160   144.71430
   87    86 S   HC   _H28    94     1.09111   109.99541    53.20654
   88    86 S   HC   _H29    95     1.09325   109.04122   -67.90298
   89    70 S   OS   _O33    80     1.42370   110.74277  -112.55687
   90    84 S   CT   _C6_    81     1.52595   110.29234   138.57564
   91    90 S   HC   _H14    82     1.09695   109.31205  -176.27196
   92    90 S   HC   _H15    83     1.09749   109.31072   -60.39569
   93    86 S   OH   _O37    96     1.41394   110.41598   172.93317
   94    93 S   HO   _H30    97     0.97225   107.26924   176.26949
   95    90 S   CT   _C5_    84     1.52847   112.40750    60.91007
   96    95 S   HC   _H12    85     1.09597   110.20789   -60.33278
   97    95 S   HC   _H13    86     1.09613   109.79434    57.59949
   98    95 S   CT   _C4_    87     1.52055   111.41117   178.63484
   99    98 S   HC   _H9_    88     1.09468   111.00918   -60.21539
  100    98 S   HC   _H10    89     1.09449   110.25917  -179.95154
  101    98 S   HC   _H11    90     1.09470   110.98832    60.31126
  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
  23   2   1   1  14   6   5  13   6   5   6   3   6   3  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  12   6   5  13   6  19  13  12  10   4   6   2   1   3
   2   1   1   9   5   4   3   2   4   9   5   4   1   1   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    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    49    50    60    40    41    42    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    50    51    56    60    61    62    40    41    42    58    52    53    54    55  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    49    50    60    40    41    42    52  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    63    52    43    47    49    50    56    57    60    61    62  
   42    49    56    60    61    62  
   49    56    60    61    62  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50    52  
   47    48    49  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    77    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    73    77    78    79    58    59    65    66    52    53    54    55  
   56    57    60    63    77    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    73    77    58    59    65    80  
   60    61    62    63    64    67    73    58  
   59    65    66    80    60    63    72    73    77    78    79  
   65    66    73    77    78    79  
   61    62    63    64    67    73  
   62    63  
   63  
   64    67    68    69    70    71    72    73    77    78    79    80    81    82    83    74    89    75  
   67    68    69    70    72    73    77    80  
   66    73    77    78    79  
   77  
   68    69    70    71    72    73    77    80    74    84    89    75  
   69    70    71    72    73    89  
   70    71    72    73    89  
   71    72    73    77    80    74    84    85    89    90    75    76    86  
   72    73    74    84    89    75  
   73    77    78    79    80    81    82    83    74    84    85    89    90    75    76    86    87    88    93  
   77    78    79    80    81    82    83    74    84    89    75    76    86  
   84    85    89    90    91    92    95    75    76    86    77    80  
   76    86    87    88    93    94    77    80    84    89  
   86    87    88    93  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   85    89    90    91    92    95    96    97    98  
   89    90    91    92    95  
   87    88    93    94  
   88    93    94  
   93    94  
   90    91    92    95  
   91    92    95    96    97    98    99   100   101  
   92    95    96    97    98  
   95    96    97    98  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   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    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   320.000  1.462
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    73   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    89   320.000  1.410
   72    73   268.000  1.529
   72    74   320.000  1.410
   72    75   317.000  1.522
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    84   320.000  1.380
   84    85   340.000  1.090
   84    89   320.000  1.380
   84    90   250.000  1.527
   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   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   75    76   570.000  1.229
   75    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   320.000  1.410
   93    94   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    49    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    63.00000  111.10000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    40    60    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    40.00000  117.72500
   43    45    47    65.00000  118.96000
   45    43    44    80.00000  123.72100
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    58.35000  112.70000
   49    47    48    35.00000  117.00000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    77    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    40    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    73    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    40    41    37.50000  110.70000
   60    40    42    37.50000  110.70000
   62    60    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    62    37.50000  110.70000
   42    40    41    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    73    72    58.35000  112.70000
   63    73    77    58.35000  112.70000
   63    73    80    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    89    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    58.35000  112.70000
   70    72    74    50.00000  109.50000
   70    72    75    63.00000  111.10000
   70    89    84    60.00000  109.50000
   72    70    71    37.50000  110.70000
   72    73    77    58.35000  112.70000
   72    73    80    58.35000  112.70000
   72    74    84    60.00000  109.50000
   72    75    76    80.00000  120.40000
   72    75    86    70.00000  116.00000
   73    63    64    37.50000  110.70000
   73    63    67    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    58    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    58    59    37.50000  110.70000
   77    58    65    50.00000  109.50000
   79    77    78    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    56    58.35000  112.70000
   58    77    78    37.50000  110.70000
   58    77    79    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   80    73    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   74    72    73    50.00000  109.50000
   74    84    85    35.00000  109.50000
   74    84    89    92.60000  111.55000
   74    84    90    90.00000  108.56700
   84    90    91    45.00000  108.72000
   84    90    92    45.00000  108.72000
   84    90    95    75.00000  109.43000
   89    70    71    35.00000  109.50000
   89    70    72    50.00000  109.50000
   89    84    85    35.00000  109.50000
   90    84    85    45.00000  112.01100
   90    84    89    90.00000  108.56700
   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    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   75    72    73    63.00000  111.10000
   75    72    74    90.00000  108.74100
   75    86    87    35.00000  109.50000
   75    86    88    35.00000  109.50000
   75    86    93    90.00000  109.61100
   86    75    76    80.00000  120.40000
   86    93    94    55.00000  108.50000
   88    86    87    33.00000  107.80000
   93    86    87    35.00000  109.50000
   93    86    88    35.00000  109.50000
   52    49    50    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
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
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
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   74    72    75    86   1.25850 -1.0 2.0
   74    72    75    86  -0.23600  1.0 3.0
   74    84   -89    70  -0.53350  1.0 1.0
   74    84   -89    70  -0.78350 -1.0 2.0
   74    84   -89    70   0.33750  1.0 3.0
   74    84    90    91   0.23400  1.0 3.0
   74    84    90    92   0.23400  1.0 3.0
   74    84    90    95   0.62750  1.0 1.0
   74    84    90    95  -0.30950 -1.0 2.0
   74    84    90    95   0.27300  1.0 3.0
   84    90    95    96   0.15000  1.0 3.0
   84    90    95    97   0.15000  1.0 3.0
   84    90    95    98   3.97050  1.0 1.0
   85    84    89    70   0.37050  1.0 3.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    92   0.15000  1.0 3.0
   85    84    90    95   0.15000  1.0 3.0
   89    70    72    73   0.62750  1.0 1.0
   89    70    72    73  -0.30950 -1.0 2.0
   89    70    72    73   0.27300  1.0 3.0
   89    70   -72    74   1.11900  1.0 1.0
   89    70   -72    74  -1.16350 -1.0 2.0
   89    70   -72    74  -0.34150  1.0 3.0
   89    70    72    75  -0.09450  1.0 1.0
   89    70    72    75  -1.12950 -1.0 2.0
   89    70    72    75   0.54000  1.0 3.0
   89    84    90    91   0.23400  1.0 3.0
   89    84    90    92   0.23400  1.0 3.0
   89    84    90    95   0.62750  1.0 1.0
   89    84    90    95  -0.30950 -1.0 2.0
   89    84    90    95   0.27300  1.0 3.0
   90    84    89    70   0.06250  1.0 1.0
   90    84    89    70  -0.01100 -1.0 2.0
   90    84    89    70   0.28050  1.0 3.0
   90    95    98    99   0.15000  1.0 3.0
   90    95    98   100   0.15000  1.0 3.0
   90    95    98   101   0.15000  1.0 3.0
   91    90    95    96   0.15000  1.0 3.0
   91    90    95    97   0.15000  1.0 3.0
   91    90    95    98   0.15000  1.0 3.0
   92    90    95    96   0.15000  1.0 3.0
   92    90    95    97   0.15000  1.0 3.0
   92    90    95    98   0.15000  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   75    72    73    63  -0.95700  1.0 1.0
   75    72    73    63  -0.18200 -1.0 2.0
   75    72    73    63   0.29450  1.0 3.0
   75    72    73    77  -0.95700  1.0 1.0
   75    72    73    77  -0.18200 -1.0 2.0
   75    72    73    77   0.29450  1.0 3.0
   75    72    73    80  -0.95700  1.0 1.0
   75    72    73    80  -0.18200 -1.0 2.0
   75    72    73    80   0.29450  1.0 3.0
   75    72    74    84  -1.11000  1.0 1.0
   75    72    74    84   0.50250 -1.0 2.0
   75    72    74    84   0.47450  1.0 3.0
   75    86    93    94   0.91850  1.0 1.0
   75    86    93    94   0.57950  1.0 3.0
   76    75    86    87   0.00000  1.0 1.0
   76    75    86    88   0.00000  1.0 1.0
   76    75    86    93   0.30150 -1.0 2.0
   87    86    93    94   0.19450  1.0 3.0
   88    86    93    94   0.19450  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  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
   37    45    43    44  10.50000 -1.0 2.0
   43    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   72    86    75    76  10.50000 -1.0 2.0
END
