* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    208    342     632
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079   102.81443    12.25778
    3     1 S   H    _H1_     3     1.02100    41.14582   116.20943
    4     1 S   H    _H2_     4     1.02058    72.61837   -93.60871
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.84432    97.48443   161.87252
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C7_    37     1.53918   110.01992    39.96882
   38    37 S   HC   _H36    38     1.09757   112.03080   -42.32340
   39    37 S   HC   _H37    39     1.09900   110.40145  -160.63223
   40    33 S   CT   _C24   101     1.54883   104.48831   -73.96473
   41    40 S   HC   _H56   102     1.08232   108.80833   -63.56338
   42    40 S   HC   _H57   103     1.08312   108.79483   176.47569
   43    40 S   HC   _H58   104     1.08199   108.85169    56.45709
   44    37 S   CO4  _C4_    40     1.50568   112.37707    81.19809
   45    44 S   O    _O26    41     1.23044   121.11014  -129.82179
   46    44 S   CT   _C10    42     1.52055   115.94091    53.73745
   47    46 S   HC   _H42    43     1.09678   107.43098    62.01436
   48    46 S   CT   _C19    44     1.56750   111.17999   -59.00261
   49    46 S   OH   _O33    99     1.41474   106.93344   177.36820
   50    49 S   HO   _H68   100     0.97265   107.12667    59.99845
   51    33 S   CT   _C12    45     1.57263   114.09774   164.92181
   52    51 S   HC   _H44    46     1.10282   102.91776   170.56643
   53    48 S   CT   _C23    95     1.55009   108.15270   -67.44593
   54    53 S   HC   _H53    96     1.08043   108.69276   179.98022
   55    53 S   HC   _H54    97     1.08107   108.61295    60.01416
   56    53 S   HC   _H55    98     1.08094   108.64234   -59.95110
   57    51 S   CT   _C8_    47     1.54419   114.15263    56.23294
   58    57 S   HC   _H38    48     1.09281   111.74581   -76.49608
   59    57 S   HC   _H39    49     1.09417   110.21693    41.35600
   60    57 S   CT   _C16    50     1.52860   110.42278   159.77597
   61    60 S   HC   _H48    51     1.09722   108.26042   177.94672
   62    60 S   CT   _C18    52     1.52593   113.36865    55.69631
   63    62 S   CT   _C9_    53     1.53889   112.35446    72.64449
   64    63 S   HC   _H40    54     1.09145   113.92160   -36.45216
   65    63 S   HC   _H41    55     1.09553   113.12421    84.91279
   66    62 S   CT   _C13    64     1.57260   107.66439  -167.98935
   67    66 S   HC   _H45    65     1.10235   107.62828   -58.09751
   68    63 S   OS   _O30    56     1.44000   106.39940  -155.39216
   69    66 S   CT   _C11    66     1.53121   110.06980    57.29470
   70    69 S   HC   _H43    67     1.10297   111.04947    72.50479
   71    68 S   CO   _C21    57     1.44462   108.12858     3.79034
   72    69 S   CO4  _C5_    68     1.50711   114.54766   -49.32690
   73    72 S   O    _O27    69     1.22892   122.09557  -154.19454
   74    69 S   OS   _O36    71     1.42448   111.53874  -167.49426
   75    48 S   CT   _C14    58     1.61106   109.27928   169.58516
   76    75 S   HC   _H46    59     1.09545   104.44443   -37.73409
   77    71 S   CT   _C17    60     1.54768   108.02675   -92.56608
   78    77 S   HC   _H49    61     1.09759   109.72085   -68.08037
   79    60 S   OS   _O29    70     1.45196   105.00797   -69.57846
   80    74 S   CO4  _C6_    72     1.36803   115.71024  -152.01237
   81    80 S   O    _O28    73     1.22415   125.66264    -0.05935
   82    71 S   OH   _O35    93     1.41558   111.12300   148.91189
   83    82 S   HO   _H70    94     0.97259   107.14966    62.11261
   84    77 S   CT   _C15    62     1.53928   112.23829    51.98821
   85    84 S   HC   _H47    63     1.10100   106.02649   -72.98519
   86    80 S   CT   _C28    74     1.51934   109.78937  -178.77347
   87    86 S   HC   _H67    75     1.09740   108.75868    28.73101
   88    77 S   OH   _O34    91     1.42708   109.82507   175.11216
   89    88 S   HO   _H69    92     0.96916   106.44740   -64.18642
   90    86 S   CT   _C26    76     1.52653   108.34007   -89.48466
   91    90 S   HC   _H62    77     1.09561   111.29447   -61.90306
   92    90 S   HC   _H63    78     1.09447   110.88738    58.67038
   93    90 S   HC   _H64    79     1.09610   110.87069   178.57481
   94    86 S   CT   _C27    80     1.53548   111.50478   148.19539
   95    94 S   HC   _H65    81     1.09706   109.36607    60.71728
   96    94 S   HC   _H66    82     1.09689   110.62816   178.08174
   97    84 S   CT   _C22    87     1.53036   111.71397   173.87132
   98    97 S   HC   _H50    88     1.08767   109.62192   -65.82816
   99    97 S   HC   _H51    89     1.08805   109.67091   174.17853
  100    97 S   HC   _H52    90     1.08768   109.63914    54.14774
  101    94 S   CT   _C25    83     1.52310   112.58956   -59.65844
  102   101 S   HC   _H59    84     1.09426   111.51832   -58.96310
  103   101 S   HC   _H60    85     1.09401   110.11779  -178.66119
  104   101 S   HC   _H61    86     1.09489   110.90057    61.86965
  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
  19   2   1   1  15   6   5   8   3   2   1   9   4  15   6  21
   4   1  15   6   8   3   2   1  10   5   4  16   6  19  13   5
   4  21   9   9  13   6  11   5   2   8   8   2  11   6   1  11
   4   3   1   7   5  12   8   2   1   7   3   2   1   6   5   4
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    51    52    57    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    51    52    57    58    59    60    75    53    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    57    49    40    41    42    43  
   39    44    45    46    51    40  
   44    45    46    51    40  
   41    42    43    44    48    51    52    57  
   42    43    51  
   43    51  
   51  
   45    46    47    48    51    75    53    49    50  
   46    47    48    49  
   47    48    51    52    57    62    71    75    76    53    54    55    56    49    50  
   48    51    75    53    49    50  
   51    52    57    58    59    60    62    63    68    71    75    76    77    66    82    53    54    55    56    49    50  
   50    51    53    75  
    0  
   52    57    58    59    60    61    62    71    75    76    79    53    54    55    56  
   57    58    59    60    75    53  
   54    55    56    57    62    71    75    76  
   55    56    75  
   56    75  
   75  
   58    59    60    61    62    63    75    66    72    79  
   59    60    61    62    79  
   60    61    62    79  
   61    62    63    64    65    68    71    75    76    84    66    67    69    72    73    79  
   62    63    75    66    72    79  
   63    64    65    68    71    75    76    77    84    85    66    67    69    70    72    79    74    97    82  
   64    65    68    71    75    76    77    84    66    67    69    79    82  
   65    68    71    75    66  
   68    71    75    66  
   67    69    70    72    73    79    74    80    97    98    99   100    88    68    71    75    76    77    78    84    85  
   69    70    72    74    97    75    77    84    85  
   71    75    76    77    78    84    88    82    83  
   70    72    73    79    74    80    81    86    97    75    77    84    85  
   72    73    79    74    80    84  
   75    76    77    78    84    85    97    88    89    82    83  
   73    79    74    80    84  
   79    74  
   80    81    86    87    90    94    79    84  
   76    77    78    84    79    88    82    83  
   77    82  
   78    84    85    97    98    99   100    88    89    82    83  
   84    85    97    88    89    82  
    0  
   81    86    87    90    91    92    93    94    95    96   101  
   86    87    90    94  
   83    84    88  
    0  
   85    97    98    99   100    88    89  
   97    98    99   100    88  
   87    90    91    92    93    94    95    96   101   102   103   104  
   90    91    92    93    94    95    96   101  
   89    97  
    0  
   91    92    93    94    95    96   101  
   92    93    94  
   93    94  
   94  
   95    96   101   102   103   104  
   96   101   102   103   104  
  101   102   103   104  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104  
  103   104  
  104  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  104   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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    75   268.000  1.529
   48    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    79   320.000  1.410
   62    63   268.000  1.529
   62    75   268.000  1.529
   62    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   320.000  1.410
   68    71   320.000  1.380
   71    75   250.000  1.527
   71    77   250.000  1.527
   71    82   380.000  1.407
   75    76   340.000  1.090
   77    78   340.000  1.090
   77    84   268.000  1.529
   77    88   320.000  1.410
   84    85   340.000  1.090
   84    66   268.000  1.529
   84    97   268.000  1.529
   66    67   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    72   317.000  1.522
   69    74   320.000  1.410
   72    73   570.000  1.229
   72    79   214.000  1.327
   74    80   214.000  1.327
   80    81   570.000  1.229
   80    86   317.000  1.522
   86    87   340.000  1.090
   86    90   268.000  1.529
   86    94   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   553.000  0.945
   82    83   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    51    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    44    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    63.00000  111.10000
   44    46    49    90.00000  109.61100
   46    44    45    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    75    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    75    62    58.35000  112.70000
   48    75    71    75.00000  109.43000
   48    75    76    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    79    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    58.35000  112.70000
   60    62    75    58.35000  112.70000
   60    62    66    58.35000  112.70000
   60    79    72    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    68    50.00000  109.50000
   62    75    71    75.00000  109.43000
   62    75    76    37.50000  110.70000
   62    66    84    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    69    58.35000  112.70000
   63    68    71    60.00000  109.50000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    71    75    90.00000  108.56700
   68    71    77    90.00000  108.56700
   68    71    82   110.00000  112.08000
   71    75    76    45.00000  108.72000
   71    77    78    45.00000  108.72000
   71    77    84    75.00000  109.43000
   71    77    88    90.00000  111.58700
   71    82    83    70.00000  107.92000
   75    48    51    58.35000  112.70000
   75    62    63    58.35000  112.70000
   77    71    75    65.00000  112.71400
   77    84    85    37.50000  110.70000
   77    84    66    58.35000  112.70000
   77    84    97    58.35000  112.70000
   77    88    89    55.00000  108.50000
   84    77    78    37.50000  110.70000
   84    66    67    37.50000  110.70000
   84    66    69    58.35000  112.70000
   84    97    98    37.50000  110.70000
   84    97    99    37.50000  110.70000
   84    97   100    37.50000  110.70000
   66    62    63    58.35000  112.70000
   66    62    75    58.35000  112.70000
   66    84    85    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    72    63.00000  111.10000
   66    69    74    50.00000  109.50000
   69    66    67    37.50000  110.70000
   69    72    73    80.00000  120.40000
   69    72    79    81.00000  111.40000
   69    74    80    83.00000  116.90000
   72    69    70    35.00000  109.50000
   79    60    61    35.00000  109.50000
   79    60    62    50.00000  109.50000
   79    72    73    83.00000  123.40000
   74    69    70    35.00000  109.50000
   74    69    72    90.00000  108.74100
   74    80    81    83.00000  123.40000
   74    80    86    81.00000  111.40000
   80    86    87    35.00000  109.50000
   80    86    90    63.00000  111.10000
   80    86    94    63.00000  111.10000
   86    80    81    80.00000  120.40000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    93    37.50000  110.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94   101    58.35000  112.70000
   90    86    87    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    86    87    37.50000  110.70000
   94    86    90    58.35000  112.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101   104    37.50000  110.70000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   97    84    85    37.50000  110.70000
   97    84    66    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   88    77    78    35.00000  109.50000
   88    77    84    50.00000  109.50000
   82    71    75    90.00000  110.19100
   82    71    77    90.00000  110.19100
   53    48    51    58.35000  112.70000
   53    48    75    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
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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   74    80    86    87   0.00000  1.0 1.0
   74    80    86    90   0.36750  1.0 3.0
   74    80    86    94   0.36750  1.0 3.0
   80    86    90    91  -0.11250  1.0 3.0
   80    86    90    92  -0.11250  1.0 3.0
   80    86    90    93  -0.11250  1.0 3.0
   80    86    94    95  -0.11250  1.0 3.0
   80    86    94    96  -0.11250  1.0 3.0
   80    86    94   101  -0.95700  1.0 1.0
   80    86    94   101  -0.18200 -1.0 2.0
   80    86    94   101   0.29450  1.0 3.0
   81    80    86    87   0.00000  1.0 1.0
   81    80    86    90   0.30150 -1.0 2.0
   81    80    86    94   0.30150 -1.0 2.0
   86    94   101   102   0.15000  1.0 3.0
   86    94   101   103   0.15000  1.0 3.0
   86    94   101   104   0.15000  1.0 3.0
   87    86    90    91   0.15000  1.0 3.0
   87    86    90    92   0.15000  1.0 3.0
   87    86    90    93   0.15000  1.0 3.0
   87    86    94    95   0.15000  1.0 3.0
   87    86    94    96   0.15000  1.0 3.0
   87    86    94   101   0.15000  1.0 3.0
   90    86    94    95   0.15000  1.0 3.0
   90    86    94    96   0.15000  1.0 3.0
   90    86    94   101   0.56750  1.0 1.0
   90    86    94   101  -0.07550 -1.0 2.0
   90    86    94   101   0.20000  1.0 3.0
   94    86    90    91   0.15000  1.0 3.0
   94    86    90    92   0.15000  1.0 3.0
   94    86    90    93   0.15000  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   103   0.15000  1.0 3.0
   95    94   101   104   0.15000  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   103   0.15000  1.0 3.0
   96    94   101   104   0.15000  1.0 3.0
   97    84    66    62   0.56750  1.0 1.0
   97    84    66    62  -0.07550 -1.0 2.0
   97    84    66    62   0.20000  1.0 3.0
   97    84    66    67   0.15000  1.0 3.0
   97    84    66    69   0.56750  1.0 1.0
   97    84    66    69  -0.07550 -1.0 2.0
   97    84    66    69   0.20000  1.0 3.0
   88    77    84    85   0.23400  1.0 3.0
   88    77    84    66   0.86500  1.0 1.0
   88    77    84    66  -0.17500 -1.0 2.0
   88    77    84    66   0.20800  1.0 3.0
   88    77    84    97   0.86500  1.0 1.0
   88    77    84    97  -0.17500 -1.0 2.0
   88    77    84    97   0.20800  1.0 3.0
   82    71    75    48   0.86500  1.0 1.0
   82    71    75    48  -0.17500 -1.0 2.0
   82    71    75    48   0.20800  1.0 3.0
   82    71    75    62   0.86500  1.0 1.0
   82    71    75    62  -0.17500 -1.0 2.0
   82    71    75    62   0.20800  1.0 3.0
   82    71    75    76   0.23400  1.0 3.0
   82    71    77    78   0.23400  1.0 3.0
   82    71    77    84   0.86500  1.0 1.0
   82    71    77    84  -0.17500 -1.0 2.0
   82    71    77    84   0.20800  1.0 3.0
   82    71    77    88   3.75450  1.0 1.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    57   0.56750  1.0 1.0
   53    48    51    57  -0.07550 -1.0 2.0
   53    48    51    57   0.20000  1.0 3.0
   53    48    75    62   0.56750  1.0 1.0
   53    48    75    62  -0.07550 -1.0 2.0
   53    48    75    62   0.20000  1.0 3.0
   53    48    75    71   3.97050  1.0 1.0
   53    48    75    76   0.15000  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    75   0.86500  1.0 1.0
   49    46    48    75  -0.17500 -1.0 2.0
   49    46    48    75   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   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
   37    46    44    45  10.50000 -1.0 2.0
   69    79    72    73  10.50000 -1.0 2.0
   74    86    80    81  10.50000 -1.0 2.0
END
