* LIGAND DATABASE FILE (OPLS2005)
*
001     105   110    209    341     615
    1     0 S   NP   _N1_     1    28.59043    93.35112   -22.39640
    2     1 S   H    _HN1     2     1.02833    24.59058   130.29926
    3     1 S   H    _H1_     3     1.02776    92.89503  -100.71189
    4     1 S   H    _H2_     4     1.02957    94.52117     7.93034
    5     1 S   CT   _CA1     5     1.50104   135.30653   133.18449
    6     5 S   HC   _HA1     6     1.09577   105.24323    57.95256
    7     5 S   CO3  _C1_     7     1.53793   112.28614   -62.25521
    8     7 S   O2Z  _O11     8     1.26359   114.99559   -46.42793
    9     7 S   O2Z  _O12     9     1.26230   114.90477   132.64514
   10     5 S   CT   _CB1    10     1.53080   107.41182   175.80969
   11    10 S   HC   HB11    11     1.09824   109.37267   -51.06587
   12    10 S   HC   HB12    12     1.09817   110.43346    65.50548
   13    10 S   CT   _CG1    13     1.52975   112.60411  -172.15232
   14    13 S   HC   HG11    14     1.09594   110.38614   -63.26677
   15    13 S   HC   HG12    15     1.09648   110.01231    55.93064
   16    13 S   C    _CD1    16     1.51804   112.29565   176.34961
   17    16 S   O    _OE1    17     1.22717   123.31134    -1.72952
   18    16 S   N    _N2_    18     1.38550   111.61735   178.37105
   19    18 S   H    _HN2    19     1.01674   118.93299     0.29342
   20    18 S   CT1  _CA2    20     1.46097   123.64262  -178.49416
   21    20 S   HC   _HA2    21     1.09732   109.30757     2.15186
   22    20 S   C    _C2_    22     1.53495   109.01446  -113.75972
   23    22 S   O    _O2_    23     1.23062   122.01513  -146.54851
   24    20 S   CT   _CB2    32     1.53545   111.36097   123.80421
   25    24 S   HC   HB21    33     1.09478   109.86123    59.74473
   26    24 S   HC   HB22    34     1.09281   109.50482   178.17952
   27    22 S   N    _N3_    24     1.38433   113.70792    40.88355
   28    27 S   H    _HN3    25     1.01485   118.99647    -0.79155
   29    24 S   S    _SG2    35     1.82975   111.41084   -61.99696
   30    27 S   CT   _CA3    26     1.45475   123.59643   175.36688
   31    30 S   HC   HA31    27     1.09510   109.46432    20.10688
   32    30 S   HC   HA32    28     1.09504   107.06338   137.10592
   33    29 S   CT   _C27    36     1.86505   101.08821   161.85172
   34    33 S   HC   _H6_    37     1.08932   107.02653   -22.45370
   35    30 S   CO3  _C3_    29     1.52905   112.95714  -103.54948
   36    35 S   O2Z  _O31    30     1.26414   115.32960   -47.06555
   37    35 S   O2Z  _O32    31     1.26348   115.04799   133.85309
   38    33 S   CT   _C9_    38     1.60270   111.57435  -140.30766
   39    33 S   CT   _C28    96     1.54096   107.96669    92.24001
   40    39 S   HC   _H31    97     1.09555   111.86550    59.80515
   41    39 S   HC   _H32    98     1.09135   110.78722   178.91809
   42    38 S   CT   _C8_    39     1.58138   112.18312  -173.44899
   43    42 S   HC   _H3_    40     1.09199   102.75605   -31.81064
   44    38 S   CT   _C26    92     1.55510   108.64913   -51.76151
   45    44 S   HC   _H28    93     1.09408   112.55775    69.75008
   46    44 S   HC   _H29    94     1.09497   111.30941   -50.63061
   47    44 S   HC   _H30    95     1.08953   113.32414  -170.06047
   48    39 S   CO4  _C29    99     1.51223   113.66759   -65.67103
   49    48 S   O    _O41   100     1.22462   123.66429   -60.05923
   50    42 S   CT   _C7_    41     1.54026   121.10667    87.12469
   51    50 S   HC   _H12    42     1.09529   111.40000    46.92322
   52    50 S   HC   _H13    43     1.09200   110.77852   -69.74299
   53    42 S   CT   _C14    64     1.55619   108.22132  -144.55525
   54    48 S   OS   _O42   101     1.36247   110.26900   120.16323
   55    50 S   CT   _C6_    44     1.54868   113.58474   168.80068
   56    55 S   HC   _H10    45     1.09700   107.91617   142.47240
   57    55 S   HC   _H11    46     1.09753   108.17084  -103.95144
   58    53 S   CO   _C13    65     1.53979   100.29734    40.52770
   59    53 S   CT   _C23    83     1.55947   113.71197   -76.42987
   60    59 S   HC   _H17    84     1.09587   111.83401  -177.42245
   61    59 S   HC   _H18    85     1.08998   113.11010    64.75272
   62    59 S   HC   _H19    86     1.09215   112.67715   -57.83305
   63    54 S   CT   _C30   102     1.43057   115.22751  -179.68225
   64    63 S   HC   _H33   103     1.09326   108.09879   179.59218
   65    63 S   HC   _H34   104     1.09422   110.34611    60.90254
   66    63 S   HC   _H35   105     1.09419   110.27197   -61.71960
   67    55 S   CT   _C5_    47     1.55012   115.39238    18.13145
   68    38 S   CT   _C10    66     1.60302   112.20241    73.47366
   69    58 S   OH   _O39    81     1.42059   113.12276  -161.97058
   70    69 S   HO   _H20    82     0.97079   108.33254   -38.57526
   71    67 S   CT   _C18    48     1.57365   112.14763  -170.55319
   72    71 S   HC   _H5_    49     1.09905   110.17124    63.59753
   73    68 S   CO4  _C11    67     1.51934   119.22726    10.06695
   74    73 S   O    _O33    68     1.22591   124.27947   -87.12291
   75    68 S   OH   _O40    79     1.41569   111.93805  -117.55225
   76    75 S   HO   _H27    80     0.97336   107.67155    72.54764
   77    67 S   CT   _C4_    88     1.55666   109.73382    69.42133
   78    77 S   HC   _H7_    89     1.09427   112.28100  -178.79342
   79    77 S   HC   _H8_    90     1.09484   111.00947    60.71681
   80    77 S   HC   _H9_    91     1.08827   114.49267   -58.20140
   81    71 S   C5BC _C19    50     1.50431   115.27576   -55.71757
   82    71 S   OS   _O37    58     1.46450   110.07432  -179.95154
   83    73 S   CT   _C12    69     1.51232   112.43986    97.10486
   84    81 S   C5BC _C20    51     1.42549   128.10351   -91.23834
   85    84 S   HA   _H14    52     1.08099   127.39731     0.98019
   86    82 S   CO4  _C17    59     1.36938   122.57291   -41.50464
   87    86 S   O    _O36    60     1.22431   122.42218  -179.04366
   88    58 S   OS   _O34    70     1.44029   110.19868    73.41890
   89    83 S   CT   _C24    71     1.52623   110.95379   114.04716
   90    89 S   HC   _H21    72     1.09549   110.77198  -165.00026
   91    89 S   HC   _H22    73     1.09551   111.18247    73.99918
   92    89 S   HC   _H23    74     1.09454   112.15742   -45.73879
   93    83 S   CT   _C25    75     1.52065   113.48778  -120.38614
   94    93 S   HC   _H24    76     1.09611   110.61707  -178.12226
   95    93 S   HC   _H25    77     1.09380   111.77253    64.27935
   96    93 S   HC   _H26    78     1.09478   111.65871   -57.25251
   97    84 S   C5A  _C21    53     1.37444   106.67080  -179.12620
   98    97 S   HA   _H15    54     1.08026   133.82357  -179.76261
   99    86 S   C3T  _C16    61     1.48265   117.06967     1.30866
  100    99 S   HC   _H4_    62     1.08139   115.53170   172.73826
  101    97 S   OA   _O38    55     1.35648   110.47269     0.56855
  102    67 S   C3T  _C15    63     1.55125   108.88421   -52.69737
  103    81 S   C5A  _C22    56     1.38217   126.90825    90.91265
  104   103 S   HA   _H16    57     1.08074   133.42525    -0.98158
  105    99 S   O3T  _O35    87     1.41454   111.59216   -48.78554
  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
  20   8   2   1   1  26   9   4   3  26  10   9   3   2   1   6
   2  13   6   5  21   4  14   5   4  19  10   3   2   1   3   2
   1   1  15  11   6   1  18   7  13   5   3   1   8   3   2   1
  10   8   9   6   4   5   4   9   7   3   2   1   3   2   1   1
   4   2   3   2   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    68    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    50    53    58    68    73    75    44    45    46    47    39    40    41    48    49    54  
   38    42    68    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    50    51    52    55   102    53    58    68    73    74    83    88    75    76    69    59    44    45    46    47    39    40    41    48  
   40    41    48    49    54    63    42    44    68  
   41    48    49    54  
   48    49    54  
   43    50    51    52    55    56    57    67    99   102    53    58    68    73    88    75    69    59    60    61    62   105    44    45    46    47  
   50    51    52    55   102    53    58    68    59    44  
   45    46    47    50    53    58    68    73    75  
   46    47    68  
   47    68  
   68  
   49    54    63    64    65    66  
   54    63  
   51    52    55    56    57    67    71   102    53    58    68    59    77  
   52    55    56    57    67    53  
   55    56    57    67    53  
   58    68    73    83    88    75    69    70    59    60    61    62   105    77    55    67    71    86    99   100   102  
   63    64    65    66  
   56    57    67    71    72    81    82    99   102   105    77    78    79    80  
   57    67    71   102    77  
   67    71   102    77  
   68    73    74    83    88    89    93    75    76    69    70    59    60    61    62   105    67    99   102  
   60    61    62   105    67    68    69    88    99   102  
   61    62   102  
   62   102  
  102  
   64    65    66  
   65    66  
   66  
    0  
   71    72    81    84   103    82    86    99   100   102   105    77    78    79    80  
   73    74    83    88    89    93    75    76    69    70   102  
   70    73    75    83    88   102  
   88  
   72    81    84    85    97   101   103   104    82    86    87    99   102   105    77    78    79    80  
   81    84   103    82    86   102    77  
   74    83    88    89    90    91    92    93    94    95    96    75    76  
   83    88    89    93    75  
   76    83    88  
    0  
   78    79    80    81    82    99   102   105  
   79    80   102  
   80   102  
  102  
   84    85    97    98   101   103   104    82    86   102  
   86    87    99   100   102   105    84   103  
   88    89    90    91    92    93    94    95    96  
   85    97    98   101   103   104  
   97    98   101   103  
   87    99   100   102   105  
   99   100   102   105  
   89    90    91    92    93    94    95    96   102  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98   101   103   104  
  101   103  
  100   102   105  
  102   105  
  103   104  
  105  
  104  
    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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  102   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
  103   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  105   2.9000   0.1400  -0.352400   1.5900   1.4000   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    39   268.000  1.529
   38    42   268.000  1.529
   38    68   268.000  1.529
   38    44   268.000  1.529
   42    43   340.000  1.090
   42    50   268.000  1.529
   42    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    67   268.000  1.529
   67    71   268.000  1.529
   67   102   275.000  1.510
   67    77   268.000  1.529
   71    72   340.000  1.090
   71    81   285.000  1.502
   71    82   320.000  1.410
   81    84   469.000  1.424
   81   103   546.000  1.367
   84    85   367.000  1.080
   84    97   546.000  1.367
   97    98   367.000  1.080
   97   101   340.000  1.360
  101   103   340.000  1.360
  103   104   367.000  1.080
   82    86   214.000  1.327
   86    87   570.000  1.229
   86    99   290.000  1.496
   99   100   340.000  1.088
   99   102   260.000  1.509
   99   105   335.000  1.432
  102    53   275.000  1.510
  102   105   335.000  1.432
   53    58   250.000  1.527
   53    59   268.000  1.529
   58    68   250.000  1.527
   58    88   320.000  1.380
   58    69   380.000  1.407
   68    73   317.000  1.522
   68    75   320.000  1.410
   73    74   570.000  1.229
   73    83   317.000  1.522
   83    88   320.000  1.410
   83    89   268.000  1.529
   83    93   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   75    76   553.000  0.945
   69    70   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   317.000  1.522
   48    49   570.000  1.229
   48    54   214.000  1.327
   54    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    39    75.00000  111.63000
   33    38    42    58.35000  112.70000
   33    38    68    58.35000  112.70000
   33    38    44    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    58.35000  112.70000
   38    42    53    58.35000  112.70000
   38    68    58    75.00000  109.43000
   38    68    73    63.00000  111.10000
   38    68    75    50.00000  109.50000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    47    37.50000  110.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    55    58.35000  112.70000
   42    53   102    70.00000  112.37300
   42    53    58    75.00000  109.43000
   42    53    59    58.35000  112.70000
   50    42    43    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    67    71    58.35000  112.70000
   55    67   102    70.00000  112.37300
   55    67    77    58.35000  112.70000
   57    55    56    33.00000  107.80000
   67    55    56    37.50000  110.70000
   67    55    57    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    81    70.00000  112.17500
   67    71    82    50.00000  109.50000
   67   102    99    60.00000  120.94000
   67   102    53    58.35000  112.70000
   67   102   105    80.00000  116.47100
   67    77    78    37.50000  110.70000
   67    77    79    37.50000  110.70000
   67    77    80    37.50000  110.70000
   71    81    84    60.00000  130.00000
   71    81   103    60.00000  130.00000
   71    82    86    83.00000  116.90000
   81    71    72    35.00000  109.50000
   81    84    85    35.00000  127.50000
   81    84    97    70.00000  107.30000
   81   103   101    70.00000  110.60000
   81   103   104    35.00000  132.10000
   84    97    98    35.00000  132.10000
   84    97   101    70.00000  110.60000
   97    84    85    35.00000  125.70000
   97   101   103    70.00000  106.50000
  101    97    98    35.00000  113.40000
  101   103   104    35.00000  113.40000
  103    81    84    70.00000  107.30000
   82    71    72    35.00000  109.50000
   82    71    81    85.00000  111.85700
   82    86    87    83.00000  123.40000
   82    86    99    81.00000  111.40000
   86    99   100    40.00000  116.18000
   86    99   102    65.00000  117.18000
   86    99   105    80.00000  114.91000
   99    86    87    75.00000  121.36600
   99   102    53    60.00000  120.94000
   99   102   105    15.00000   60.43100
   99   105   102    15.00000   59.14900
  102    67    71    70.00000  112.37300
  102    99   100    37.50000  117.20000
  102    53    58    70.00000  112.37300
  102    53    59    70.00000  112.37300
   53    42    43    37.50000  110.70000
   53    42    50    58.35000  112.70000
   53    58    68    65.00000  112.71400
   53    58    88    90.00000  108.56700
   53    58    69    90.00000  110.19100
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   58    68    73    63.00000  111.10000
   58    68    75    90.00000  111.58700
   58    88    83    60.00000  109.50000
   58    69    70    70.00000  107.92000
   68    38    42    58.35000  112.70000
   68    73    74    80.00000  120.40000
   68    73    83    70.00000  116.00000
   68    75    76    55.00000  108.50000
   73    83    88    90.00000  108.74100
   73    83    89    63.00000  111.10000
   73    83    93    63.00000  111.10000
   83    73    74    80.00000  120.40000
   83    89    90    37.50000  110.70000
   83    89    91    37.50000  110.70000
   83    89    92    37.50000  110.70000
   83    93    94    37.50000  110.70000
   83    93    95    37.50000  110.70000
   83    93    96    37.50000  110.70000
   88    58    68    90.00000  108.56700
   89    83    88    50.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    83    88    50.00000  109.50000
   93    83    89    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   75    68    73    90.00000  109.61100
   69    58    68    90.00000  110.19100
   69    58    88   110.00000  112.08000
   59    53    58    75.00000  109.43000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
  105    99   100    50.00000  114.27700
  105    99   102    15.00000   60.43100
  105   102    53    80.00000  116.47100
   77    67    71    58.35000  112.70000
   77    67   102    70.00000  112.37300
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   44    38    42    58.35000  112.70000
   44    38    68    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    58.35000  112.70000
   39    48    49    80.00000  120.40000
   39    48    54    81.00000  111.40000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
   48    54    63    83.00000  116.90000
   54    48    49    83.00000  123.40000
   54    63    64    35.00000  109.50000
   54    63    65    35.00000  109.50000
   54    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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
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   74    73    83    89   0.30150 -1.0 2.0
   74    73    83    93   0.30150 -1.0 2.0
   88    58    68    38   0.62750  1.0 1.0
   88    58    68    38  -0.30950 -1.0 2.0
   88    58    68    38   0.27300  1.0 3.0
   88    58   -68    73  -0.09450  1.0 1.0
   88    58   -68    73  -1.12950 -1.0 2.0
   88    58   -68    73   0.54000  1.0 3.0
   88    58    68    75   3.69350  1.0 1.0
   88    58    68    75  -1.82950 -1.0 2.0
   88    58    69    70  -0.50000  1.0 1.0
   88    58    69    70  -0.73950 -1.0 2.0
   88    58    69    70   0.17150  1.0 3.0
   88    83    89    90   0.23400  1.0 3.0
   88    83    89    91   0.23400  1.0 3.0
   88    83    89    92   0.23400  1.0 3.0
   88    83    93    94   0.23400  1.0 3.0
   88    83    93    95   0.23400  1.0 3.0
   88    83    93    96   0.23400  1.0 3.0
   89    83    88    58   0.06250  1.0 1.0
   89    83    88    58  -0.01100 -1.0 2.0
   89    83    88    58   0.28050  1.0 3.0
   89    83    93    94   0.15000  1.0 3.0
   89    83    93    95   0.15000  1.0 3.0
   89    83    93    96   0.15000  1.0 3.0
   93    83    88    58   0.06250  1.0 1.0
   93    83    88    58  -0.01100 -1.0 2.0
   93    83    88    58   0.28050  1.0 3.0
   93    83    89    90   0.15000  1.0 3.0
   93    83    89    91   0.15000  1.0 3.0
   93    83    89    92   0.15000  1.0 3.0
   75    68    73    74   0.30150 -1.0 2.0
   75    68    73    83   0.55300  1.0 1.0
   75    68    73    83   1.25850 -1.0 2.0
   75    68    73    83  -0.23600  1.0 3.0
   69    58    68    38   0.86500  1.0 1.0
   69    58    68    38  -0.17500 -1.0 2.0
   69    58    68    38   0.20800  1.0 3.0
   69    58    68    73  -0.09450  1.0 1.0
   69    58    68    73  -1.12950 -1.0 2.0
   69    58    68    73   0.54000  1.0 3.0
   69    58    68    75   3.75450  1.0 1.0
   69    58    88    83  -0.70900  1.0 1.0
   69    58    88    83  -1.18000 -1.0 2.0
   69    58    88    83   0.91650  1.0 3.0
   59    53    58    68   0.56750  1.0 1.0
   59    53    58    68  -0.07550 -1.0 2.0
   59    53    58    68   0.20000  1.0 3.0
   59    53    58    88   0.62750  1.0 1.0
   59    53    58    88  -0.30950 -1.0 2.0
   59    53    58    88   0.27300  1.0 3.0
   59    53    58    69   0.86500  1.0 1.0
   59    53    58    69  -0.17500 -1.0 2.0
   59    53    58    69   0.20800  1.0 3.0
  105    99  -102    67   0.02550  1.0 1.0
  105    99  -102    67  -0.02600 -1.0 2.0
  105    99  -102    67   1.20400  1.0 3.0
  105    99  -102    53   0.02550  1.0 1.0
  105    99  -102    53  -0.02600 -1.0 2.0
  105    99  -102    53   1.20400  1.0 3.0
  105   102    53    42   0.02550  1.0 1.0
  105   102    53    42  -0.02600 -1.0 2.0
  105   102    53    42   1.20400  1.0 3.0
  105   102    53    58   0.02550  1.0 1.0
  105   102    53    58  -0.02600 -1.0 2.0
  105   102    53    58   1.20400  1.0 3.0
  105   102    53    59   0.02550  1.0 1.0
  105   102    53    59  -0.02600 -1.0 2.0
  105   102    53    59   1.20400  1.0 3.0
   77    67    71    72   0.15000  1.0 3.0
   77    67    71    81  -0.03700  1.0 1.0
   77    67    71    81   0.37200 -1.0 2.0
   77    67    71    81  -0.47300  1.0 3.0
   77    67    71    82   0.62750  1.0 1.0
   77    67    71    82  -0.30950 -1.0 2.0
   77    67    71    82   0.27300  1.0 3.0
   77    67   102    99   0.07850  1.0 1.0
   77    67   102    99  -0.03950 -1.0 2.0
   77    67   102    99   0.67350  1.0 3.0
   77    67   102    53   0.56750  1.0 1.0
   77    67   102    53  -0.07550 -1.0 2.0
   77    67   102    53   0.20000  1.0 3.0
   77    67   102   105   0.02550  1.0 1.0
   77    67   102   105  -0.02600 -1.0 2.0
   77    67   102   105   1.20400  1.0 3.0
   44    38    42    43   0.15000  1.0 3.0
   44    38    42    50   0.56750  1.0 1.0
   44    38    42    50  -0.07550 -1.0 2.0
   44    38    42    50   0.20000  1.0 3.0
   44    38    42    53   0.56750  1.0 1.0
   44    38    42    53  -0.07550 -1.0 2.0
   44    38    42    53   0.20000  1.0 3.0
   44    38    68    58   3.97050  1.0 1.0
   44    38    68    73  -0.95700  1.0 1.0
   44    38    68    73  -0.18200 -1.0 2.0
   44    38    68    73   0.29450  1.0 3.0
   44    38    68    75   0.86500  1.0 1.0
   44    38    68    75  -0.17500 -1.0 2.0
   44    38    68    75   0.20800  1.0 3.0
   39    33    38    42   0.56750  1.0 1.0
   39    33    38    42  -0.07550 -1.0 2.0
   39    33    38    42   0.20000  1.0 3.0
   39    33    38    68   0.56750  1.0 1.0
   39    33    38    68  -0.07550 -1.0 2.0
   39    33    38    68   0.20000  1.0 3.0
   39    33    38    44   0.56750  1.0 1.0
   39    33    38    44  -0.07550 -1.0 2.0
   39    33    38    44   0.20000  1.0 3.0
   39    48    54    63   1.63150  1.0 1.0
   39    48    54    63   2.92000 -1.0 2.0
   40    39    48    49   0.00000  1.0 1.0
   40    39    48    54   0.00000  1.0 1.0
   41    39    48    49   0.00000  1.0 1.0
   41    39    48    54   0.00000  1.0 1.0
   48    54    63    64   0.08050  1.0 3.0
   48    54    63    65   0.08050  1.0 3.0
   48    54    63    66   0.08050  1.0 3.0
   49    48    54    63   3.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   84   103    81    71   4.00000 -1.0 2.0
   97    85    84    81   1.10000 -1.0 2.0
  101    98    97    84   1.10000 -1.0 2.0
  101   104   103    81   1.10000 -1.0 2.0
   82    99    86    87  10.50000 -1.0 2.0
   68    83    73    74  10.50000 -1.0 2.0
   39    54    48    49  10.50000 -1.0 2.0
END
