* LIGAND DATABASE FILE (OPLS2005)
*
001     108   113    221    364     660
    1     0 S   NP   _N1_     1    28.78572    95.18305   -25.28393
    2     1 S   H    _HN1     2     1.02950    77.04224    13.08517
    3     1 S   H    _H1_     3     1.02831    30.29755  -174.66935
    4     1 S   H    _H2_     4     1.02786   114.69646   -91.39256
    5     1 S   CT   _CA1     5     1.50112   126.74541   119.03708
    6     5 S   HC   _HA1     6     1.09572   105.19703    88.85070
    7     5 S   CO3  _C1_     7     1.53789   112.47839   -31.39681
    8     7 S   O2Z  _O11     8     1.26372   115.00592   -42.26817
    9     7 S   O2Z  _O12     9     1.26242   114.94849   136.88745
   10     5 S   CT   _CB1    10     1.53083   107.42865  -153.14779
   11    10 S   HC   HB11    11     1.09833   109.38296   -49.62651
   12    10 S   HC   HB12    12     1.09813   110.44037    66.98483
   13    10 S   CT   _CG1    13     1.52995   112.60662  -170.60022
   14    13 S   HC   HG11    14     1.09580   110.64089   -65.60947
   15    13 S   HC   HG12    15     1.09670   109.77908    53.62372
   16    13 S   C    _CD1    16     1.51802   112.22194   174.09528
   17    16 S   O    _OE1    17     1.22731   123.28545     7.31775
   18    16 S   N    _N2_    18     1.38664   111.68268  -172.83226
   19    18 S   H    _HN2    19     1.01583   118.91597     1.88637
   20    18 S   CT1  _CA2    20     1.46195   123.36503   177.30601
   21    20 S   HC   _HA2    21     1.09737   109.38177     2.37290
   22    20 S   C    _C2_    22     1.53553   108.55890  -113.09042
   23    22 S   O    _O2_    23     1.23057   122.27515  -147.51307
   24    20 S   CT   _CB2    32     1.53350   111.62534   124.42919
   25    24 S   HC   HB21    33     1.09491   109.92726    56.09264
   26    24 S   HC   HB22    34     1.09512   110.08703   175.13055
   27    22 S   N    _N3_    24     1.38323   113.68765    39.90357
   28    27 S   H    _HN3    25     1.01587   119.59501    -3.30097
   29    24 S   S    _SG2    35     1.82775   111.53494   -65.04742
   30    27 S   CT   _CA3    26     1.45293   123.22679   177.13426
   31    30 S   HC   HA31    27     1.09549   107.50475   -64.69964
   32    30 S   HC   HA32    28     1.09556   107.99407    51.74516
   33    29 S   CT   _C21    36     1.83569    99.73524  -173.51644
   34    33 S   HC   _H3_    37     1.09733   108.11727    47.23962
   35    30 S   CO3  _C3_    29     1.52966   114.06473   173.73456
   36    35 S   O2Z  _O31    30     1.26379   116.05647    -0.99858
   37    35 S   O2Z  _O32    31     1.26426   114.41776   179.06938
   38    33 S   CT   _C9_    38     1.52296   108.37811   164.95709
   39    38 S   HC   _H38    39     1.09554   113.29101    64.19804
   40    38 S   HC   _H39    40     1.09728   110.55051   -56.75783
   41    38 S   CO4  _C7_    41     1.51321   108.81361  -174.87581
   42    41 S   O    _O30    42     1.23259   118.88490   129.21176
   43    41 S   CT   _C23    43     1.55594   118.10612   -54.35740
   44    43 S   CT   _C15    44     1.59414   107.55856   161.51906
   45    44 S   HC   _H50    45     1.10163   106.62318   -38.91274
   46    43 S   C3T  _C25    95     1.54729   109.22058    39.48677
   47    43 S   CT   _C28   105     1.54410   106.73323   -78.64218
   48    47 S   HC   _H64   106     1.09531   111.31461  -171.47398
   49    47 S   HC   _H65   107     1.09379   112.14811    68.57954
   50    47 S   HC   _H66   108     1.09556   111.84655   -49.93254
   51    44 S   CT   _C11    46     1.55896   113.33509    77.28309
   52    51 S   HC   _H42    47     1.09443   110.24371    57.86536
   53    51 S   HC   _H43    48     1.09440   110.44154   -58.72246
   54    33 S   CT   _C20    96     1.53091   112.16105   -73.74710
   55    54 S   HC   _H55    97     1.09572   110.04010    59.82785
   56    82 S   O3T  _O34   100     1.42430   114.76119   -41.41407
   57    51 S   CT   _C13    49     1.53771   114.36085   179.70064
   58    57 S   HC   _H46    50     1.09753   108.75342    67.09611
   59    57 S   HC   _H47    51     1.09354   108.08422  -177.76305
   60    54 S   OH   _O35    98     1.42709   111.29531   -58.17273
   61    60 S   HO   _H73    99     0.97312   107.20958    53.93856
   62    57 S   CT   _C24    52     1.53857   111.88439   -54.99914
   63    62 S   CT   _C16    53     1.54854   105.94390    57.06506
   64    63 S   HC   _H51    54     1.10367   107.90380    56.13933
   65    62 S   CT   _C29   101     1.54615   110.20622   -65.82973
   66    65 S   HC   _H67   102     1.09435   112.46102  -176.97398
   67    65 S   HC   _H68   103     1.09304   112.86110    62.73195
   68    65 S   HC   _H69   104     1.09488   110.87392   -56.46689
   69    63 S   CT   _C10    55     1.52222   103.78910   168.03873
   70    69 S   HC   _H40    56     1.09480   112.15404  -155.52448
   71    69 S   HC   _H41    57     1.09573   111.52955    83.72104
   72    44 S   CT   _C17    88     1.55887   114.18311  -155.00395
   73    72 S   HC   _H52    89     1.09617   109.19127   -59.22491
   74    69 S   CT   _C12    58     1.53469   104.01040   -35.41104
   75    74 S   HC   _H44    59     1.09531   109.30307   130.64734
   76    74 S   HC   _H45    60     1.09588   110.49583  -111.53837
   77    72 S   CT   _C14    90     1.53220   110.12328    59.81362
   78    77 S   HC   _H48    91     1.09700   110.22821    67.49960
   79    77 S   HC   _H49    92     1.09607   110.02526  -174.95764
   80    62 S   CT   _C18    61     1.56655   115.54111   165.82843
   81    80 S   HC   _H53    62     1.09972   105.83063   -42.13643
   82    77 S   C3T  _C19    93     1.48177   112.75230   -53.79935
   83    82 S   HC   _H54    94     1.08192   112.63214   179.73980
   84    80 S   CT   _C31    63     1.56175   121.35036    79.23616
   85    84 S   CT   _C22    64     1.56403   111.78140   179.16890
   86    85 S   HC   _H57    65     1.09852   108.61607   -63.35697
   87    84 S   CT   _C30    82     1.53533   111.91327   -55.31016
   88    87 S   HC   _H70    83     1.09557   111.64009  -171.89635
   89    87 S   HC   _H71    84     1.09405   111.89819   -50.73542
   90    87 S   HC   _H72    85     1.09372   111.23869    71.51294
   91    84 S   OH   _O36    86     1.43613   108.93484    62.46898
   92    91 S   HO   _H74    87     0.97350   107.53550   176.24250
   93    85 S   CT   _C8_    66     1.52371   115.00228    60.96111
   94    93 S   HC   _H36    67     1.09572   111.84317    54.71585
   95    93 S   HC   _H37    68     1.09488   109.71810   -65.17621
   96    93 S   CM   _C5_    69     1.50622   109.53829   174.55367
   97    96 S   CM   _C4_    70     1.34799   120.65920   -28.70841
   98    96 S   CT   _C27    78     1.50406   114.30698   151.92910
   99    98 S   HC   _H61    79     1.09473   110.13361   -70.72809
  100    98 S   HC   _H62    80     1.09220   113.54229   167.73671
  101    98 S   HC   _H63    81     1.09571   109.95055    48.54210
  102    97 S   CO4  _C6_    71     1.49108   119.38176    -5.27124
  103   102 S   O    _O29    72     1.22683   121.49428  -164.60511
  104    97 S   CT   _C26    74     1.50174   125.70302   177.47586
  105   104 S   HC   _H58    75     1.09469   110.32034   102.44640
  106   104 S   HC   _H59    76     1.09276   113.04780   -19.15187
  107   104 S   HC   _H60    77     1.09587   110.47661  -137.77402
  108    85 S   OS   _O33    73     1.44914   108.14762  -177.36144
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  11   5   4  14   4  21  24  10  16   8   2
   1   1  12   6   5   7   4   7  15   5   4   2   1  21  20   9
   9   3   2   1  11   6   5   8   4   8   4   3   4   3   2  12
   4   1   1  14  16   8   7   3   2   1   3   1  11   5   4  12
  11   5   2   1   1   6   2   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    54    55    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    82    46    54    55    60    61    56  
   38    39    40    41    46    54    55    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    54    55    60    47  
   40    41    42    43    54  
   41    42    43    54  
   42    43    44    45    51    72    82    46    54    56    47    48    49    50  
   43    44    46    47  
   44    45    51    52    53    57    63    72    73    77    82    83    46    54    55    60    56    47    48    49    50  
   45    51    52    53    57    58    59    62    63    64    69    72    73    77    78    79    82    46    54    56    47    48    49    50  
   51    52    53    57    63    72    73    77    46    47  
   54    55    60    61    56    47    48    49    50    51    72    77    78    79    82    83  
   48    49    50    51    54    56    72    82  
   49    50  
   50  
    0  
   52    53    57    58    59    62    63    80    72    73    77    65  
   53    57    58    59    62    72  
   57    58    59    62    72  
   55    60    61    56    77    82    83  
   60    61    56    82  
   60    72    77    78    79    82    83  
   58    59    62    63    64    69    74    80    81    84    72    65    66    67    68  
   59    62    63    80    65  
   62    63    80    65  
   61    82  
    0  
   63    64    69    70    71    74    75    76    80    81    84    85    87    91    72    73    77    65    66    67    68  
   64    69    70    71    74    75    76    80    81    84    72    73    77    78    79    82    65    66    67    68  
   69    70    71    74    80    72    73    77    65  
   66    67    68    69    72    74    80    81    84  
   67    68    80  
   68    80  
   80  
   70    71    74    75    76    80    81    84    72    73    77  
   71    74    75    76    80    72  
   74    75    76    80    72  
   73    77    78    79    82    83    74    80  
   77    78    79    82  
   75    76    80    81    84    85    87    91  
   76    80    81    84  
   80    81    84  
   78    79    82    83  
   79    82    83  
   82    83  
   81    84    85    86    93   108    87    88    89    90    91    92  
   84    85    87    91  
   83  
    0  
   85    86    93    94    95    96   102   108    87    88    89    90    91    92  
   86    93    94    95    96    97   102   103   108    98    87    88    89    90    91    92  
   93    94    95    96   102   108    87    91  
   88    89    90    91    92    93   108  
   89    90    91  
   90    91  
   91  
   92    93   108  
    0  
   94    95    96    97   102   108   104    98    99   100   101  
   95    96    97   108    98  
   96    97   108    98  
   97   102   103   108   104   105   106   107    98    99   100   101  
  102   103   108   104   105   106   107    98    99   100   101  
   99   100   101   102   104  
  100   101  
  101  
    0  
  103   108   104   105   106   107  
  108   104  
  105   106   107   108  
  106   107  
  107  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
  102   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   275.000  1.510
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    72   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   268.000  1.529
   62    80   268.000  1.529
   62    65   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    84   268.000  1.529
   84    85   268.000  1.529
   84    87   268.000  1.529
   84    91   320.000  1.410
   85    86   340.000  1.090
   85    93   268.000  1.529
   85   108   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   317.000  1.510
   96    97   549.000  1.340
   96    98   317.000  1.510
   97   102   320.000  1.462
   97   104   317.000  1.510
  102   103   570.000  1.229
  102   108   214.000  1.327
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   553.000  0.945
   72    73   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   275.000  1.510
   82    83   340.000  1.088
   82    46   260.000  1.509
   82    56   335.000  1.432
   46    54   275.000  1.510
   46    56   335.000  1.432
   54    55   340.000  1.090
   54    60   320.000  1.410
   60    61   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    54    46    70.00000  112.37300
   33    54    55    37.50000  110.70000
   33    54    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    44    72    58.35000  112.70000
   43    46    82    60.00000  120.94000
   43    46    54    58.35000  112.70000
   43    46    56    80.00000  116.47100
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    57    58.35000  112.70000
   44    72    63    58.35000  112.70000
   44    72    73    37.50000  110.70000
   44    72    77    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    62    63    58.35000  112.70000
   57    62    80    58.35000  112.70000
   57    62    65    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    69    58.35000  112.70000
   62    63    72    58.35000  112.70000
   62    80    74    58.35000  112.70000
   62    80    81    37.50000  110.70000
   62    80    84    58.35000  112.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    74    58.35000  112.70000
   63    72    73    37.50000  110.70000
   63    72    77    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    80    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    62    63    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    84    85    58.35000  112.70000
   80    84    87    58.35000  112.70000
   80    84    91    50.00000  109.50000
   84    80    81    37.50000  110.70000
   84    85    86    37.50000  110.70000
   84    85    93    58.35000  112.70000
   84    85   108    50.00000  109.50000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   84    91    92    55.00000  108.50000
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93    96    70.00000  112.02700
   85   108   102    83.00000  116.90000
   93    85    86    37.50000  110.70000
   93    96    97    70.00000  124.00000
   93    96    98    65.00000  117.92700
   95    93    94    33.00000  107.80000
   96    93    94    35.00000  109.50000
   96    93    95    35.00000  109.50000
   96    97   102    65.00000  118.96000
   96    97   104    70.00000  124.00000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    35.00000  109.50000
   97   102   103    80.00000  123.72100
   97   102   108    90.00000  111.29400
   97   104   105    35.00000  109.50000
   97   104   106    35.00000  109.50000
   97   104   107    35.00000  109.50000
  108    85    86    35.00000  109.50000
  108    85    93    50.00000  109.50000
  108   102   103    83.00000  123.40000
  104    97   102    65.00000  116.34900
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   98    96    97    70.00000  124.00000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   87    84    85    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    84    85    50.00000  109.50000
   91    84    87    50.00000  109.50000
   72    44    45    37.50000  110.70000
   72    44    51    58.35000  112.70000
   72    63    64    37.50000  110.70000
   72    63    69    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    70.00000  112.37300
   77    72    73    37.50000  110.70000
   77    82    83    40.00000  115.04500
   77    82    46    60.00000  120.94000
   77    82    56    80.00000  116.47100
   79    77    78    33.00000  107.80000
   82    77    78    45.00000  109.38400
   82    77    79    45.00000  109.38400
   82    46    54    60.00000  120.94000
   82    46    56    15.00000   60.43100
   82    56    46    15.00000   59.14900
   46    43    44    70.00000  112.37300
   46    82    83    37.50000  117.20000
   46    54    55    45.00000  109.38400
   46    54    60    50.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    60    61    55.00000  108.50000
   60    54    55    35.00000  109.50000
   56    82    83    50.00000  114.27700
   56    82    46    15.00000   60.43100
   56    46    54    80.00000  116.47100
   65    62    63    58.35000  112.70000
   65    62    80    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    43    46    70.00000  112.37300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   93    96    98   100   0.34800  1.0 3.0
   93    96    98   101   0.34800  1.0 3.0
   94    93    96    97   0.00000  1.0 1.0
   94    93    96    98   0.34800  1.0 3.0
   95    93    96    97   0.00000  1.0 1.0
   95    93    96    98   0.34800  1.0 3.0
   96    97   102   103   1.00000 -1.0 2.0
   96    97   102   108  -0.56150  1.0 1.0
   96    97   102   108   2.19150 -1.0 2.0
   96    97   104   105   0.00000  1.0 1.0
   96    97   104   106   0.00000  1.0 1.0
   96    97   104   107   0.00000  1.0 1.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.00000  1.0 1.0
   97   102  -108    85   2.00000 -1.0 2.0
  102    97   104   105   0.15000  1.0 3.0
  102    97   104   106   0.15000  1.0 3.0
  102    97   104   107   0.15000  1.0 3.0
  103   102   108    85   3.00000 -1.0 2.0
  108    85    93    94   0.23400  1.0 3.0
  108    85    93    95   0.23400  1.0 3.0
  108    85   -93    96   0.61850  1.0 1.0
  108    85   -93    96  -0.22750 -1.0 2.0
  108    85   -93    96   0.15300  1.0 3.0
  104    97   102   103  -0.64400  1.0 1.0
  104    97   102   103   0.26850 -1.0 2.0
  104    97   102   108  -0.15000  1.0 1.0
  104    97   102   108   0.89550 -1.0 2.0
  104    97   102   108  -0.06900  1.0 3.0
   98    96    97   102   7.00000 -1.0 2.0
   98    96    97   104   7.00000 -1.0 2.0
   87    84    85    86   0.15000  1.0 3.0
   87    84    85    93   0.56750  1.0 1.0
   87    84    85    93  -0.07550 -1.0 2.0
   87    84    85    93   0.20000  1.0 3.0
   87    84    85   108   0.62750  1.0 1.0
   87    84    85   108  -0.30950 -1.0 2.0
   87    84    85   108   0.27300  1.0 3.0
   87    84    91    92  -0.11600  1.0 1.0
   87    84    91    92  -0.09450 -1.0 2.0
   87    84    91    92   0.21250  1.0 3.0
   91    84    85    86   0.23400  1.0 3.0
   91    84    85    93   0.86500  1.0 1.0
   91    84    85    93  -0.17500 -1.0 2.0
   91    84    85    93   0.20800  1.0 3.0
   91    84    85   108   3.69350  1.0 1.0
   91    84    85   108  -1.82950 -1.0 2.0
   91    84    87    88   0.23400  1.0 3.0
   91    84    87    89   0.23400  1.0 3.0
   91    84    87    90   0.23400  1.0 3.0
   72    44    51    52   0.15000  1.0 3.0
   72    44    51    53   0.15000  1.0 3.0
   72    44   -51    57   0.56750  1.0 1.0
   72    44   -51    57  -0.07550 -1.0 2.0
   72    44   -51    57   0.20000  1.0 3.0
   72    63    69    70   0.15000  1.0 3.0
   72    63    69    71   0.15000  1.0 3.0
   72    63    69    74   0.56750  1.0 1.0
   72    63    69    74  -0.07550 -1.0 2.0
   72    63    69    74   0.20000  1.0 3.0
   72    77    82    83   0.15000  1.0 3.0
   72    77    82    46   0.07850  1.0 1.0
   72    77    82    46  -0.03950 -1.0 2.0
   72    77    82    46   0.67350  1.0 3.0
   72    77    82    56   0.02550  1.0 1.0
   72    77    82    56  -0.02600 -1.0 2.0
   72    77    82    56   1.20400  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   77    82   -46    43   0.56750  1.0 1.0
   77    82   -46    43  -0.07550 -1.0 2.0
   77    82   -46    43   0.20000  1.0 3.0
   77    82    46    54   0.56750  1.0 1.0
   77    82    46    54  -0.07550 -1.0 2.0
   77    82    46    54   0.20000  1.0 3.0
   77    82   -46    56   0.02550  1.0 1.0
   77    82   -46    56  -0.02600 -1.0 2.0
   77    82   -46    56   1.20400  1.0 3.0
   77    82   -56    46   0.06250  1.0 1.0
   77    82   -56    46  -0.01100 -1.0 2.0
   77    82   -56    46   0.28050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    46   0.15000  1.0 3.0
   78    77    82    56   0.23400  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    77    82    46   0.15000  1.0 3.0
   79    77    82    56   0.23400  1.0 3.0
   82    46    54    33   0.07850  1.0 1.0
   82    46    54    33  -0.03950 -1.0 2.0
   82    46    54    33   0.67350  1.0 3.0
   82    46    54    55   0.15000  1.0 3.0
   82    46    54    60   0.86500  1.0 1.0
   82    46    54    60  -0.17500 -1.0 2.0
   82    46    54    60   0.20800  1.0 3.0
   83    82    46    43   0.15000  1.0 3.0
   83    82    46    54   0.15000  1.0 3.0
   83    82   -46    56   0.23400  1.0 3.0
   83    82   -56    46   0.36800  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    51   0.47050  1.0 1.0
   46    43    44    51   0.03900 -1.0 2.0
   46    43    44    51   0.20100  1.0 3.0
   46    43   -44    72   0.47050  1.0 1.0
   46    43   -44    72   0.03900 -1.0 2.0
   46    43   -44    72   0.20100  1.0 3.0
   46    43    47    48   0.15000  1.0 3.0
   46    43    47    49   0.15000  1.0 3.0
   46    43    47    50   0.15000  1.0 3.0
   46    54    60    61  -0.11600  1.0 1.0
   46    54    60    61  -0.09450 -1.0 2.0
   46    54    60    61   0.21250  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41  -0.95700  1.0 1.0
   54    33   -38    41  -0.18200 -1.0 2.0
   54    33   -38    41   0.29450  1.0 3.0
   54    46   -56    82   0.06250  1.0 1.0
   54    46   -56    82  -0.01100 -1.0 2.0
   54    46   -56    82   0.28050  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   56    82   -46    43   0.02550  1.0 1.0
   56    82   -46    43  -0.02600 -1.0 2.0
   56    82   -46    43   1.20400  1.0 3.0
   56    82   -46    54   0.02550  1.0 1.0
   56    82   -46    54  -0.02600 -1.0 2.0
   56    82   -46    54   1.20400  1.0 3.0
   56    46    54    33   0.02550  1.0 1.0
   56    46    54    33  -0.02600 -1.0 2.0
   56    46    54    33   1.20400  1.0 3.0
   56    46    54    55   0.23400  1.0 3.0
   56    46    54    60   3.69350  1.0 1.0
   56    46    54    60  -1.82950 -1.0 2.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.56750  1.0 1.0
   65    62    63    69  -0.07550 -1.0 2.0
   65    62    63    69   0.20000  1.0 3.0
   65    62    63    72   0.56750  1.0 1.0
   65    62    63    72  -0.07550 -1.0 2.0
   65    62    63    72   0.20000  1.0 3.0
   65    62    80    74   0.56750  1.0 1.0
   65    62    80    74  -0.07550 -1.0 2.0
   65    62    80    74   0.20000  1.0 3.0
   65    62    80    81   0.15000  1.0 3.0
   65    62    80    84   0.56750  1.0 1.0
   65    62    80    84  -0.07550 -1.0 2.0
   65    62    80    84   0.20000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    44    72   0.56750  1.0 1.0
   47    43    44    72  -0.07550 -1.0 2.0
   47    43    44    72   0.20000  1.0 3.0
   47    43    46    82   0.07850  1.0 1.0
   47    43    46    82  -0.03950 -1.0 2.0
   47    43    46    82   0.67350  1.0 3.0
   47    43    46    54   0.56750  1.0 1.0
   47    43    46    54  -0.07550 -1.0 2.0
   47    43    46    54   0.20000  1.0 3.0
   47    43    46    56   0.02550  1.0 1.0
   47    43    46    56  -0.02600 -1.0 2.0
   47    43    46    56   1.20400  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   93    98    96    97   1.10000 -1.0 2.0
  102   104    97    96   1.10000 -1.0 2.0
   97   108   102   103  10.50000 -1.0 2.0
END
