* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    209    345     637
    1     0 S   NP   _N1_     1    31.60725    94.74212   -12.91595
    2     1 S   H    _HN1     2     1.02747    20.74143   -88.52108
    3     1 S   H    _H1_     3     1.03196   109.16916     1.18283
    4     1 S   H    _H2_     4     1.02909    88.11286   107.86116
    5     1 S   CT   _CA1     5     1.49989   127.41272  -136.57432
    6     5 S   HC   _HA1     6     1.09551   105.36246   -39.93244
    7     5 S   CO3  _C1_     7     1.53956   112.37311  -160.50379
    8     7 S   O2Z  _O11     8     1.26341   115.30692   -48.45138
    9     7 S   O2Z  _O12     9     1.26259   114.86521   130.90395
   10     5 S   CT   _CB1    10     1.53011   107.25728    78.23421
   11    10 S   HC   HB11    11     1.09836   109.80944   -47.04247
   12    10 S   HC   HB12    12     1.09869   109.93055    69.18062
   13    10 S   CT   _CG1    13     1.53309   113.12434  -168.23108
   14    13 S   HC   HG11    14     1.09463   110.55482   -47.17065
   15    13 S   HC   HG12    15     1.09526   110.66861    72.16820
   16    13 S   C    _CD1    16     1.51703   109.75302  -168.28254
   17    16 S   O    _OE1    17     1.22864   122.18081   -42.48380
   18    16 S   N    _N2_    18     1.38502   112.81590   136.02440
   19    18 S   H    _HN2    19     1.01544   119.58862     8.27870
   20    18 S   CT1  _CA2    20     1.46327   122.66656  -165.96834
   21    20 S   HC   _HA2    21     1.09719   109.34966   -11.63354
   22    20 S   C    _C2_    22     1.53174   109.20306  -128.13194
   23    22 S   O    _O2_    23     1.23023   122.10493  -146.92618
   24    20 S   CT   _CB2    32     1.53989   110.74792   109.39345
   25    24 S   HC   HB21    33     1.09055   108.78858    66.23103
   26    24 S   HC   HB22    34     1.09522   110.30205  -176.29419
   27    22 S   N    _N3_    24     1.38460   113.41751    40.47324
   28    27 S   H    _HN3    25     1.01538   118.90416    -0.46855
   29    24 S   S    _SG2    35     1.83322   110.86086   -56.77152
   30    27 S   CT   _CA3    26     1.45433   123.31602   175.22607
   31    30 S   HC   HA31    27     1.09535   109.06257    27.51574
   32    30 S   HC   HA32    28     1.09492   107.16294   144.47598
   33    29 S   CT   _C20    36     1.88842   104.07836   145.79163
   34    30 S   CO3  _C3_    29     1.52931   113.24945   -95.85002
   35    34 S   O2Z  _O31    30     1.26390   115.45910   -43.89426
   36    34 S   O2Z  _O32    31     1.26365   114.95225   137.07455
   37    33 S   CT   _C7_    37     1.54034   108.23793   -50.68247
   38    37 S   HC   _H37    38     1.09530   111.55497    80.06677
   39    37 S   HC   _H38    39     1.09750   111.82947   -40.76093
   40    33 S   CT   _C24   102     1.53536   105.84222    68.84855
   41    40 S   HC   _H57   103     1.09516   112.22013    63.10585
   42    40 S   HC   _H58   104     1.09651   111.69082   -57.45470
   43    40 S   HC   _H59   105     1.09010   112.39358  -175.67455
   44    37 S   CO4  _C4_    40     1.50648   112.49839  -160.13504
   45    44 S   O    _O26    41     1.23036   121.29619  -128.64481
   46    44 S   CT   _C10    42     1.51831   115.79764    54.15743
   47    46 S   HC   _H43    43     1.09581   106.39592    58.49610
   48    46 S   CT   _C19    44     1.56714   110.37485   -61.19285
   49    46 S   OH   _O33   100     1.41247   108.41590   172.24061
   50    49 S   HO   _H68   101     0.97138   108.69854    68.59704
   51    33 S   CT   _C12    45     1.58319   106.07588  -169.18806
   52    51 S   HC   _H45    46     1.10239   103.50057    51.59467
   53    48 S   CT   _C23    96     1.55032   109.04033   -64.57868
   54    53 S   HC   _H54    97     1.09008   113.18182   162.56237
   55    53 S   HC   _H55    98     1.09214   112.04630    41.99242
   56    53 S   HC   _H56    99     1.09084   113.19139   -75.57489
   57    51 S   CT   _C8_    47     1.54739   114.40062   -63.52865
   58    57 S   HC   _H39    48     1.09252   111.60682   -76.54020
   59    57 S   HC   _H40    49     1.09462   110.85231    40.83959
   60    57 S   CT   _C16    50     1.52957   110.23164   159.58789
   61    60 S   HC   _H49    51     1.09738   108.21829   178.59000
   62    60 S   CT   _C18    52     1.52358   113.25386    56.38825
   63    62 S   CT   _C9_    53     1.53945   111.67952    72.63365
   64    63 S   HC   _H41    54     1.09152   113.83847   -36.27469
   65    63 S   HC   _H42    55     1.09522   113.11086    85.18720
   66    62 S   CT   _C13    64     1.57236   107.80620  -167.60320
   67    66 S   HC   _H46    65     1.10211   107.41081   -57.95551
   68    63 S   OS   _O30    56     1.43728   106.57265  -154.85502
   69    66 S   CT   _C11    66     1.53677   110.62659    57.25130
   70    69 S   HC   _H44    67     1.09271   110.69228    73.52170
   71    68 S   CO   _C21    57     1.44489   108.20339     3.34936
   72    69 S   CO4  _C5_    68     1.51428   113.96784   -48.21999
   73    72 S   O    _O27    69     1.23021   122.23057  -156.33001
   74    69 S   OS   _O37    71     1.44611   109.17268  -165.11225
   75    48 S   CT   _C14    58     1.60726   108.89598   171.87399
   76    75 S   HC   _H47    59     1.09354   104.20161   -36.34057
   77    71 S   CT   _C17    60     1.55016   106.99630   -92.84210
   78    77 S   HC   _H50    61     1.09817   108.24187   -63.23764
   79    60 S   OS   _O29    70     1.44941   105.08705   -68.90868
   80    74 S   CO4  _C6_    72     1.36451   118.21205  -148.35559
   81    80 S   O    _O28    73     1.22410   126.26579    -0.90547
   82    71 S   OH   _O35    94     1.41490   110.61063   148.67680
   83    82 S   HO   _H70    95     0.97108   108.78334    89.66452
   84    77 S   CT   _C15    62     1.54269   112.63537    54.93914
   85    84 S   HC   _H48    63     1.10032   105.43879   -75.43630
   86    80 S   CT   _C27    74     1.51081   110.02175   179.34329
   87    86 S   HC   _H66    75     1.09772   107.54384   -39.26900
   88    86 S   HC   _H67    76     1.09712   107.46570  -153.23582
   89    77 S   OH   _O34    92     1.42551   111.13816  -178.17694
   90    89 S   HO   _H69    93     0.96958   109.58192   -65.01072
   91    86 S   CT   _C28    77     1.53516   113.46310    83.82322
   92    84 S   CT   _C22    88     1.52880   111.62299   172.04875
   93    92 S   HC   _H51    89     1.09320   112.38305   -62.30286
   94    92 S   HC   _H52    90     1.09461   110.90995   175.37937
   95    92 S   HC   _H53    91     1.09601   110.17047    56.97680
   96    91 S   CT   _C25    78     1.52943   112.44466    57.07904
   97    96 S   HC   _H60    79     1.09474   111.43328   -65.15720
   98    96 S   HC   _H61    80     1.09632   110.72225   177.35588
   99    96 S   HC   _H62    81     1.09476   111.61988    56.58190
  100    91 S   CT   _C26    82     1.53238   109.66007   179.31244
  101   100 S   HC   _H63    83     1.09611   110.90473    58.51487
  102   100 S   HC   _H64    84     1.09608   110.88731   176.39142
  103   100 S   HC   _H65    85     1.09493   111.62209   -62.48536
  104    91 S   OH   _O36    86     1.42858   109.68042   -62.71063
  105   104 S   HO   _H71    87     0.97261   108.15564   -57.81712
  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   8
   4   3   1   7   5  13   5   4   2   1  10   3   2   1   1   9
   4   3   2   5   3   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    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    92    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    92    93    94    95    89    68    71    75    76    77    78    84    85  
   69    70    72    74    92    75    77    84    85  
   71    75    76    77    78    84    89    82    83  
   70    72    73    79    74    80    81    86    92    75    77    84    85  
   72    73    79    74    80    84  
   75    76    77    78    84    85    92    89    90    82    83  
   73    79    74    80    84  
   79    74  
   80    81    86    87    88    91    79    84  
   76    77    78    84    79    89    82    83  
   77    82  
   78    84    85    92    93    94    95    89    90    82    83  
   84    85    92    89    90    82  
    0  
   81    86    87    88    91    96   100   104  
   86    87    88    91  
   83    84    89  
    0  
   85    92    93    94    95    89    90  
   92    93    94    95    89  
   87    88    91    96    97    98    99   100   101   102   103   104   105  
   88    91    96   100   104  
   91    96   100   104  
   90    92  
    0  
   96    97    98    99   100   101   102   103   104   105  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99   100   101   102   103   104   105  
   98    99   100   104  
   99   100   104  
  100   104  
  101   102   103   104   105  
  102   103   104  
  103   104  
  104  
  105  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  105   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    89   320.000  1.410
   84    85   340.000  1.090
   84    66   268.000  1.529
   84    92   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    88   340.000  1.090
   86    91   268.000  1.529
   91    96   268.000  1.529
   91   100   268.000  1.529
   91   104   320.000  1.410
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   553.000  0.945
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   89    90   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    89    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    92    58.35000  112.70000
   77    89    90    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    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    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    88    35.00000  109.50000
   80    86    91    63.00000  111.10000
   86    80    81    80.00000  120.40000
   86    91    96    58.35000  112.70000
   86    91   100    58.35000  112.70000
   86    91   104    50.00000  109.50000
   88    86    87    33.00000  107.80000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    37.50000  110.70000
   91   100   101    37.50000  110.70000
   91   100   102    37.50000  110.70000
   91   100   103    37.50000  110.70000
   91   104   105    55.00000  108.50000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    91    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    91    96    50.00000  109.50000
  104    91   100    50.00000  109.50000
   92    84    85    37.50000  110.70000
   92    84    66    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   89    77    78    35.00000  109.50000
   89    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
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   79    60    62    75   0.27300  1.0 3.0
   79    60   -62    66   0.62750  1.0 1.0
   79    60   -62    66  -0.30950 -1.0 2.0
   79    60   -62    66   0.27300  1.0 3.0
   74    69    72    73   0.30150 -1.0 2.0
   74    69    72    79   0.40000  1.0 3.0
   74    80    86    87   0.00000  1.0 1.0
   74    80    86    88   0.00000  1.0 1.0
   74    80    86    91   0.36750  1.0 3.0
   80    86    91    96  -0.95700  1.0 1.0
   80    86    91    96  -0.18200 -1.0 2.0
   80    86    91    96   0.29450  1.0 3.0
   80    86    91   100  -0.95700  1.0 1.0
   80    86    91   100  -0.18200 -1.0 2.0
   80    86    91   100   0.29450  1.0 3.0
   80    86    91   104  -0.09450  1.0 1.0
   80    86    91   104  -1.12950 -1.0 2.0
   80    86    91   104   0.54000  1.0 3.0
   81    80    86    87   0.00000  1.0 1.0
   81    80    86    88   0.00000  1.0 1.0
   81    80    86    91   0.30150 -1.0 2.0
   86    91    96    97   0.15000  1.0 3.0
   86    91    96    98   0.15000  1.0 3.0
   86    91    96    99   0.15000  1.0 3.0
   86    91   100   101   0.15000  1.0 3.0
   86    91   100   102   0.15000  1.0 3.0
   86    91   100   103   0.15000  1.0 3.0
   86    91   104   105  -0.11600  1.0 1.0
   86    91   104   105  -0.09450 -1.0 2.0
   86    91   104   105   0.21250  1.0 3.0
   87    86    91    96   0.15000  1.0 3.0
   87    86    91   100   0.15000  1.0 3.0
   87    86    91   104   0.23400  1.0 3.0
   88    86    91    96   0.15000  1.0 3.0
   88    86    91   100   0.15000  1.0 3.0
   88    86    91   104   0.23400  1.0 3.0
   96    91   100   101   0.15000  1.0 3.0
   96    91   100   102   0.15000  1.0 3.0
   96    91   100   103   0.15000  1.0 3.0
   96    91   104   105  -0.11600  1.0 1.0
   96    91   104   105  -0.09450 -1.0 2.0
   96    91   104   105   0.21250  1.0 3.0
  100    91    96    97   0.15000  1.0 3.0
  100    91    96    98   0.15000  1.0 3.0
  100    91    96    99   0.15000  1.0 3.0
  100    91   104   105  -0.11600  1.0 1.0
  100    91   104   105  -0.09450 -1.0 2.0
  100    91   104   105   0.21250  1.0 3.0
  104    91    96    97   0.23400  1.0 3.0
  104    91    96    98   0.23400  1.0 3.0
  104    91    96    99   0.23400  1.0 3.0
  104    91   100   101   0.23400  1.0 3.0
  104    91   100   102   0.23400  1.0 3.0
  104    91   100   103   0.23400  1.0 3.0
   92    84    66    62   0.56750  1.0 1.0
   92    84    66    62  -0.07550 -1.0 2.0
   92    84    66    62   0.20000  1.0 3.0
   92    84    66    67   0.15000  1.0 3.0
   92    84    66    69   0.56750  1.0 1.0
   92    84    66    69  -0.07550 -1.0 2.0
   92    84    66    69   0.20000  1.0 3.0
   89    77    84    85   0.23400  1.0 3.0
   89    77    84    66   0.86500  1.0 1.0
   89    77    84    66  -0.17500 -1.0 2.0
   89    77    84    66   0.20800  1.0 3.0
   89    77    84    92   0.86500  1.0 1.0
   89    77    84    92  -0.17500 -1.0 2.0
   89    77    84    92   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    89   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
