* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    199    325     604
    1     0 S   NP   _N1_     1    28.83103    93.48905   -20.90192
    2     1 S   H    _HN1     2     1.02774    90.67259   -73.68696
    3     1 S   H    _H1_     3     1.02958    97.51513    34.91962
    4     1 S   H    _H2_     4     1.02834    24.30863   150.16443
    5     1 S   CT   _CA1     5     1.50159   134.56114   163.42588
    6     5 S   HC   _HA1     6     1.09574   105.20366    53.41258
    7     5 S   CO3  _C1_     7     1.53813   112.23888   -66.73577
    8     7 S   O2Z  _O11     8     1.26370   114.96857   -44.52994
    9     7 S   O2Z  _O12     9     1.26234   114.89680   134.27603
   10     5 S   CT   _CB1    10     1.53064   107.38574   171.28727
   11    10 S   HC   HB11    11     1.09821   109.34194   -49.81546
   12    10 S   HC   HB12    12     1.09827   110.42222    66.74910
   13    10 S   CT   _CG1    13     1.53016   112.70129  -170.92128
   14    13 S   HC   HG11    14     1.09519   110.33563   -62.33326
   15    13 S   HC   HG12    15     1.09636   110.11742    56.79883
   16    13 S   C    _CD1    16     1.51834   112.12915   176.87156
   17    16 S   O    _OE1    17     1.22757   123.13135    -9.40851
   18    16 S   N    _N2_    18     1.38627   111.84390   171.29775
   19    18 S   H    _HN2    19     1.01599   119.00903     0.23323
   20    18 S   CT1  _CA2    20     1.46321   123.30929  -178.83450
   21    20 S   HC   _HA2    21     1.09739   109.32181   -13.61114
   22    20 S   C    _C2_    22     1.53399   108.44026  -129.32408
   23    22 S   O    _O2_    23     1.23017   122.21356  -146.45845
   24    20 S   CT   _CB2    32     1.53602   111.42195   108.43001
   25    24 S   HC   HB21    33     1.09236   109.12825    57.79959
   26    24 S   HC   HB22    34     1.09503   110.21951   175.85707
   27    22 S   N    _N3_    24     1.38500   113.37548    40.93670
   28    27 S   H    _HN3    25     1.01531   118.89274    -0.72443
   29    24 S   S    _SG2    35     1.82949   111.06445   -65.19112
   30    27 S   CT   _CA3    26     1.45447   123.48262   175.11926
   31    30 S   HC   HA31    27     1.09521   109.27084    23.69241
   32    30 S   HC   HA32    28     1.09497   107.11420   140.69849
   33    29 S   CT   _C12    36     1.90052   103.26183   154.40152
   34    30 S   CO3  _C3_    29     1.52921   113.09107   -99.81058
   35    34 S   O2Z  _O31    30     1.26405   115.39900   -44.76055
   36    34 S   O2Z  _O32    31     1.26354   114.98924   136.17482
   37    33 S   CT   _C13    37     1.54236   106.40089   -68.72493
   38    37 S   HC   _H17    38     1.09441   112.10745   174.40514
   39    37 S   HC   _H18    39     1.09420   112.12770    56.95633
   40    33 S   CT   _C11    55     1.54344   109.51047    51.42185
   41    40 S   HC   _H15    56     1.09608   111.34091   -59.71881
   42    40 S   HC   _H16    57     1.09715   109.78458  -174.81953
   43    37 S   CO4  _C14    40     1.51675   111.54014   -64.61406
   44    43 S   O    _O33    41     1.23150   120.21954   134.79289
   45    43 S   CT   _C5_    42     1.52520   117.14728   -50.30713
   46    45 S   HC   _H3_    43     1.09659   106.43358   -74.18416
   47    45 S   CT   _C6_    44     1.53993   111.91226    45.39237
   48    47 S   HC   _H11    45     1.09685   109.67366    76.19495
   49    47 S   HC   _H12    46     1.09774   107.66660  -169.81126
   50    45 S   CT   _C4_    97     1.52847   111.06206   168.86499
   51    50 S   HC   _H8_    98     1.09582   111.27160   -59.86571
   52    50 S   HC   _H9_    99     1.09492   110.93902   179.50862
   53    50 S   HC   _H10   100     1.09546   110.90960    59.77467
   54    33 S   CT   _C7_    47     1.59770   110.63052   171.59681
   55    54 S   CT   _C8_    48     1.58857   108.84635   -61.64114
   56    55 S   HC   _H4_    49     1.09844   106.58063    58.51671
   57    54 S   CT   _C27    93     1.56183   111.14078   176.97308
   58    57 S   HC   _H35    94     1.09202   113.04496    71.78285
   59    57 S   HC   _H36    95     1.09213   113.02491   -49.17281
   60    57 S   HC   _H37    96     1.09385   111.56205  -166.98527
   61    55 S   CT   _C9_    50     1.56435   111.81299   -56.69288
   62    61 S   HC   _H5_    51     1.09392   109.54333   -67.33801
   63    55 S   CT   _C21    71     1.55820   116.66439   172.63526
   64    63 S   HC   _H7_    72     1.09592   108.75744   -60.29387
   65    61 S   CT   _C10    52     1.53943   112.49087    51.34431
   66    65 S   HC   _H13    53     1.09722   109.31050  -169.42791
   67    65 S   HC   _H14    54     1.09640   109.85115    75.04771
   68    61 S   CT   _C15    58     1.53811   108.32120   173.92262
   69    68 S   HC   _H6_    59     1.10279   105.94968   -58.45306
   70    63 S   OH   _O34    73     1.41923   111.83854    57.17280
   71    70 S   HO   _H25    74     0.97232   107.80122  -175.80577
   72    68 S   CT   _C16    60     1.52251   118.52187  -176.99567
   73    72 S   HC   _H19    61     1.09485   112.14242    76.05021
   74    72 S   HC   _H20    62     1.09585   111.47062   -44.60902
   75    72 S   CT   _C17    63     1.53969   104.12815  -163.74422
   76    75 S   HC   _H21    64     1.09519   108.47791   132.72385
   77    75 S   HC   _H22    65     1.09618   109.77315  -110.32788
   78    75 S   CT   _C18    66     1.55742   106.79732    10.58535
   79    68 S   CT   _C19    67     1.54981   114.00805    60.59219
   80    78 S   CO4  _C23    79     1.53877   112.84483   144.66275
   81    80 S   O    _O35    80     1.23283   121.54487    -4.44625
   82    78 S   OH   _O38    91     1.42825   107.90500   -98.40604
   83    82 S   HO   _H34    92     0.97299   108.23799   -55.81466
   84    79 S   CT   _C20    68     1.54642   106.80758   -60.69123
   85    84 S   HC   _H23    69     1.09696   109.92067   -65.81921
   86    84 S   HC   _H24    70     1.09464   109.93507   177.03952
   87    79 S   CT   _C22    75     1.55244   113.19593    61.62838
   88    87 S   HC   _H26    76     1.09503   112.48306    68.88060
   89    87 S   HC   _H27    77     1.09134   113.29269   -51.45678
   90    87 S   HC   _H28    78     1.09548   110.72551  -171.69584
   91    80 S   CT   _C24    81     1.52054   117.59744   175.43700
   92    91 S   HC   _H29    82     1.09253   108.81665    75.40650
   93    91 S   HC   _H30    83     1.09368   109.68162   -46.67965
   94    91 S   OS   _O36    84     1.43051   108.62584  -165.89928
   95    94 S   CO4  _C25    85     1.36258   115.23686  -178.32170
   96    95 S   O    _O37    86     1.22340   126.18608    -0.06256
   97    95 S   CT   _C26    87     1.49832   109.63398   179.94065
   98    97 S   HC   _H31    88     1.09289   109.83404   -60.93273
   99    97 S   HC   _H32    89     1.09380   109.35667  -179.97202
  100    97 S   HC   _H33    90     1.09289   109.83531    60.98456
  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
  24   2   1   1  15   6   5  13   6   5  11   4  11   8  15   5
   4   4   2   1   1  14  21   9   5   2   1   1  17   8  11   6
   6   2   1  18   8   5   1  11   6   5  11   5   4  16  12  10
   5   4   1   6   2   1   3   2   1   1   6   3   2   6   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    54    55    65    40    41    42    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    54    55    56    61    65    66    67    40    41    42    63    57    58    59    60  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    54    55    65    40    41    42    57    50  
   39    43    44    45    54    40  
   43    44    45    54    40  
   41    42    68    57    43    47    54    55    61    62    65    66    67  
   42    54    61    65    66    67  
   54    61    65    66    67  
   44    45    46    47    48    49    54    50    51    52    53  
   45    46    47    50  
   46    47    48    49    54    55    57    50    51    52    53  
   47    48    49    54    50    51    52    53  
   48    49    54    55    56    61    63    57    58    59    60    50    51    52    53  
   49    54    55    57    50  
   54    55    57    50  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    61    62    65    68    84    63    64    70    57    58    59    60  
   56    61    62    65    66    67    68    69    72    79    84    85    86    63    64    70    71    57    58    59    60  
   61    62    65    68    84    63    64    70    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    66    67    68    69    72    73    74    75    78    79    84    63    64    70    87  
   65    66    67    68    69    72    79    63  
   64    70    71    87    65    68    78    79    84    85    86  
   70    71    79    84    85    86  
   66    67    68    69    72    79  
   67    68  
   68  
   69    72    73    74    75    76    77    78    79    84    85    86    87    88    89    90    80    82  
   72    73    74    75    78    79    84    87  
   71    79    84    85    86  
   84  
   73    74    75    76    77    78    79    84    87    80    82  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79    84    87    80    81    91    82    83  
   77    78    79    80    82  
   78    79    80    82  
   79    84    85    86    87    88    89    90    80    81    91    92    93    94    82    83  
   84    85    86    87    88    89    90    80    81    91    82    83  
   81    91    92    93    94    95    82    83    84    87  
   91    92    93    94    82  
   83    84    87    91  
    0  
   85    86    87    88    89    90  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96    97  
   93    94    95  
   94    95  
   95    96    97    98    99   100  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.1200   0.1700  -0.683000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   268.000  1.529
   54    57   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    79   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78    80   317.000  1.522
   78    82   320.000  1.410
   79    84   268.000  1.529
   79    87   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    63   268.000  1.529
   63    64   340.000  1.090
   63    70   320.000  1.410
   70    71   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   80    81   570.000  1.229
   80    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   320.000  1.410
   94    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   82    83   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    54    47    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   43    45    50    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    54    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    45    46    37.50000  110.70000
   47    54    55    58.35000  112.70000
   47    54    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   54    33    37    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    61    58.35000  112.70000
   54    55    63    58.35000  112.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    65    58.35000  112.70000
   55    61    68    58.35000  112.70000
   55    63    84    58.35000  112.70000
   55    63    64    37.50000  110.70000
   55    63    70    50.00000  109.50000
   61    55    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    40    58.35000  112.70000
   61    68    69    37.50000  110.70000
   61    68    72    58.35000  112.70000
   61    68    79    58.35000  112.70000
   65    61    62    37.50000  110.70000
   65    40    41    37.50000  110.70000
   65    40    42    37.50000  110.70000
   67    65    66    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    67    37.50000  110.70000
   42    40    41    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    65    58.35000  112.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    58.35000  112.70000
   68    79    78    58.35000  112.70000
   68    79    84    58.35000  112.70000
   68    79    87    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    58.35000  112.70000
   75    78    80    63.00000  111.10000
   75    78    82    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    84    58.35000  112.70000
   78    79    87    58.35000  112.70000
   78    80    81    80.00000  120.40000
   78    80    91    70.00000  116.00000
   78    82    83    55.00000  108.50000
   79    68    69    37.50000  110.70000
   79    68    72    58.35000  112.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    63    58.35000  112.70000
   79    87    88    37.50000  110.70000
   79    87    89    37.50000  110.70000
   79    87    90    37.50000  110.70000
   84    63    64    37.50000  110.70000
   84    63    70    50.00000  109.50000
   86    84    85    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    61    58.35000  112.70000
   63    84    85    37.50000  110.70000
   63    84    86    37.50000  110.70000
   63    70    71    55.00000  108.50000
   70    63    64    35.00000  109.50000
   87    79    84    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
   80    78    79    63.00000  111.10000
   80    91    92    35.00000  109.50000
   80    91    93    35.00000  109.50000
   80    91    94    90.00000  108.74100
   91    80    81    80.00000  120.40000
   91    94    95    83.00000  116.90000
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95    96    83.00000  123.40000
   94    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   97    95    96    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   82    78    79    50.00000  109.50000
   82    78    80    90.00000  109.61100
   57    54    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
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   81    80    91    93   0.00000  1.0 1.0
   81    80    91    94   0.30150 -1.0 2.0
   91    94    95    96   3.00000 -1.0 2.0
   91    94    95    97   1.63150  1.0 1.0
   91    94    95    97   2.92000 -1.0 2.0
   92    91    94    95   0.08050  1.0 3.0
   93    91    94    95   0.08050  1.0 3.0
   94    95    97    98   0.00000  1.0 1.0
   94    95    97    99   0.00000  1.0 1.0
   94    95    97   100   0.00000  1.0 1.0
   96    95    97    98   0.00000  1.0 1.0
   96    95    97    99   0.00000  1.0 1.0
   96    95    97   100   0.00000  1.0 1.0
   82    78    79    68   0.86500  1.0 1.0
   82    78    79    68  -0.17500 -1.0 2.0
   82    78    79    68   0.20800  1.0 3.0
   82    78    79    84   0.86500  1.0 1.0
   82    78    79    84  -0.17500 -1.0 2.0
   82    78    79    84   0.20800  1.0 3.0
   82    78    79    87   0.86500  1.0 1.0
   82    78    79    87  -0.17500 -1.0 2.0
   82    78    79    87   0.20800  1.0 3.0
   82    78    80    81   0.30150 -1.0 2.0
   82    78    80    91   0.55300  1.0 1.0
   82    78    80    91   1.25850 -1.0 2.0
   82    78    80    91  -0.23600  1.0 3.0
   57    54    55    56   0.15000  1.0 3.0
   57    54    55    61   0.56750  1.0 1.0
   57    54    55    61  -0.07550 -1.0 2.0
   57    54    55    61   0.20000  1.0 3.0
   57    54    55    63   0.56750  1.0 1.0
   57    54    55    63  -0.07550 -1.0 2.0
   57    54    55    63   0.20000  1.0 3.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    54   0.56750  1.0 1.0
   50    45    47    54  -0.07550 -1.0 2.0
   50    45    47    54   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   78    91    80    81  10.50000 -1.0 2.0
   94    97    95    96  10.50000 -1.0 2.0
END
