* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    198    330     607
    1     0 S   NP   _N1_     1    28.68677    94.61357   -21.69436
    2     1 S   H    _HN1     2     1.02775    96.96322   -89.40135
    3     1 S   H    _H1_     3     1.02958    82.39049    18.35847
    4     1 S   H    _H2_     4     1.02825    32.39340   157.81952
    5     1 S   CT   _CA1     5     1.50164   140.93262   131.40613
    6     5 S   HC   _HA1     6     1.09564   105.15588    74.01141
    7     5 S   CO3  _C1_     7     1.53770   112.57879   -46.13726
    8     7 S   O2Z  _O11     8     1.26365   114.91280   -35.91845
    9     7 S   O2Z  _O12     9     1.26232   115.02709   143.17469
   10     5 S   CT   _CB1    10     1.53066   107.39514  -167.84949
   11    10 S   HC   HB11    11     1.09832   109.37565   -47.81425
   12    10 S   HC   HB12    12     1.09818   110.39618    68.80163
   13    10 S   CT   _CG1    13     1.52996   112.71241  -168.76074
   14    13 S   HC   HG11    14     1.09567   110.64001   -66.97304
   15    13 S   HC   HG12    15     1.09663   109.81086    52.31588
   16    13 S   C    _CD1    16     1.51799   112.13360   172.79704
   17    16 S   O    _OE1    17     1.22735   123.20508     9.09704
   18    16 S   N    _N2_    18     1.38624   111.71252  -171.38090
   19    18 S   H    _HN2    19     1.01567   119.02813     1.65706
   20    18 S   CT1  _CA2    20     1.46353   123.40289   179.13159
   21    20 S   HC   _HA2    21     1.09739   109.37550    -3.93199
   22    20 S   C    _C2_    22     1.53424   108.45308  -119.40135
   23    22 S   O    _O2_    23     1.23022   122.40019  -148.33913
   24    20 S   CT   _CB2    32     1.53413   111.30343   118.07502
   25    24 S   HC   HB21    33     1.09234   109.34489    58.31420
   26    24 S   HC   HB22    34     1.09520   110.38796   176.48464
   27    22 S   N    _N3_    24     1.38377   113.49452    39.13622
   28    27 S   H    _HN3    25     1.01617   119.46198    -3.53385
   29    24 S   S    _SG2    35     1.83080   110.43985   -64.69577
   30    27 S   CT   _CA3    26     1.45278   123.22975   177.04216
   31    30 S   HC   HA31    27     1.09549   107.50987   -64.40451
   32    30 S   HC   HA32    28     1.09555   107.98452    52.03293
   33    29 S   CT   _C19    36     1.91053   103.01751   150.77430
   34    30 S   CO3  _C3_    29     1.52959   114.06731   174.00540
   35    34 S   O2Z  _O31    30     1.26380   116.04726    -1.42230
   36    34 S   O2Z  _O32    31     1.26425   114.42091   178.65361
   37    33 S   CM   _C4_    37     1.51298   104.56996    54.10740
   38    37 S   HC   _H31    38     1.08966   116.76639   -89.06489
   39    33 S   CT   _C12    85     1.54626   107.66836   -66.89197
   40    39 S   HC   _H42    86     1.09883   109.77258   171.80470
   41    39 S   HC   _H43    87     1.09609   112.15336    58.29614
   42    37 S   CMA  _C5_    39     1.35086   124.89207    89.23273
   43    42 S   OM   _O25    40     1.26208   129.24524  -178.69149
   44    42 S   CT   _C7_    41     1.53126   119.58012     2.03057
   45    44 S   HC   _H32    42     1.10114   108.51696   121.56491
   46    44 S   HC   _H33    43     1.09994   110.07189  -122.87610
   47    44 S   CT   _C8_    44     1.54450   117.29428     0.32566
   48    47 S   HC   _H34    45     1.09704   107.66075   150.71466
   49    47 S   HC   _H35    46     1.09636   109.04041   -95.88448
   50    33 S   CT   _C20    47     1.59161   111.73058   173.07505
   51    50 S   CT   _C14    48     1.57333   108.23201    61.48764
   52    51 S   HC   _H45    49     1.08888   104.90867   -58.20774
   53    50 S   CT   _C22    96     1.56215   112.63440  -177.44718
   54    53 S   HC   _H50    97     1.09143   113.50376   -59.06085
   55    53 S   HC   _H51    98     1.09569   110.69572  -179.72732
   56    53 S   HC   _H52    99     1.09369   112.90275    61.09941
   57    51 S   CT   _C11    50     1.53773   117.42855  -172.97728
   58    57 S   HC   _H40    51     1.09707   108.89555   -72.27054
   59    57 S   HC   _H41    52     1.09400   110.90255    45.35301
   60    57 S   CT   _C17    53     1.55457   112.08862   167.55520
   61    60 S   HC   _H48    54     1.09048   105.82016   151.80097
   62    60 S   CT   _C21    55     1.56010   114.34120    28.69924
   63    60 S   OH   _O28    94     1.42825   109.25012   -95.34049
   64    63 S   HO   _H64    95     0.97224   107.68127   -59.99607
   65    62 S   CT   _C13    56     1.54477   108.94899    29.63187
   66    65 S   HC   _H44    57     1.10031   106.45509    56.46007
   67    62 S   CT   _C23    90     1.56536   111.45361   -94.65570
   68    67 S   HC   _H53    91     1.09668   110.68309   -62.28014
   69    67 S   HC   _H54    92     1.09451   112.28757   179.55063
   70    67 S   HC   _H55    93     1.08838   114.26891    58.48919
   71    65 S   CT   _C9_    58     1.52082   104.25383   166.82761
   72    71 S   HC   _H36    59     1.09477   112.16947  -159.39335
   73    71 S   HC   _H37    60     1.09443   112.34070    79.06930
   74    51 S   CT   _C15    81     1.56220   111.38775    59.52516
   75    74 S   HC   _H46    82     1.09849   107.90414    56.79083
   76    71 S   CT   _C10    61     1.53243   103.62476   -39.82829
   77    76 S   HC   _H38    62     1.09529   110.27768   142.29580
   78    76 S   HC   _H39    63     1.09362   109.39138  -100.97269
   79    74 S   CT   _C18    83     1.53725   111.29194   -57.23163
   80    79 S   HC   _H49    84     1.09460   109.93636   -71.64209
   81    62 S   CT   _C16    64     1.57993   117.30229   144.41981
   82    81 S   HC   _H47    65     1.09999   107.16253    99.99221
   83    79 S   OH   _O29    88     1.42778   109.71959   170.52751
   84    83 S   HO   _H65    89     0.97228   107.56416   175.16232
   85    81 S   CT   _C27    66     1.56215   119.84484   -18.42544
   86    85 S   HC   _H63    67     1.09637   106.91052    53.47984
   87    85 S   CT   _C24    68     1.53415   115.02699   -66.01134
   88    87 S   HC   _H56    69     1.09383   112.05440   -69.43413
   89    87 S   HC   _H57    70     1.09484   110.71140   170.70703
   90    87 S   HC   _H58    71     1.09109   112.46843    52.52509
   91    85 S   CT   _C26    72     1.55502   109.55266   168.61912
   92    91 S   HC   _H61    73     1.09755   109.02383   -50.47208
   93    91 S   HC   _H62    74     1.09682   109.65999    65.33586
   94    91 S   CT   _C25    75     1.52908   115.18172  -172.76755
   95    94 S   HC   _H59    76     1.09764   108.41627  -179.50981
   96    94 S   HC   _H60    77     1.09568   110.29690   -63.90448
   97    94 S   CO3  _C6_    78     1.53076   115.36355    61.31411
   98    97 S   O2Z  _O26    79     1.26222   115.96439    37.87421
   99    97 S   O2Z  _O27    80     1.26415   114.55435  -142.99650
  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  12   5   4   3
  23   2   1   1  14   5  14   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  13   6   5  16   6  23   4   1
  19   9   9   3   2   1  11   6   5   7   3   8   4   3   3   2
  11   4   1   1  12   8   7   3   2   1   8   5   4   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    79    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    74    79    80    39    40    41    83    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    79    39    40    41    53  
   42    43    44    50    39  
   40    41    83    84    53    42    47    50    51    65    74    75    79    80  
   41    83    50    74    79    80  
   83    50    74    79    80  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    74    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    65    74    75    79    53    54    55    56  
   52    57    58    59    60    61    62    65    66    71    74    75    79    80    83    63    53    54    55    56  
   57    58    59    60    65    74    75    79    53  
   54    55    56    57    74  
   55    56  
   56  
    0  
   58    59    60    61    62    65    81    74    75    79    67    63    64  
   59    60    61    62    74    63  
   60    61    62    74    63  
   61    62    65    66    71    76    81    82    85    74    67    68    69    70    63    64  
   62    65    81    67    63    64  
   65    66    71    72    73    76    77    78    81    82    85    86    87    91    74    75    79    67    68    69    70    63    64  
   64    65    67    81  
    0  
   66    71    72    73    76    77    78    81    82    85    74    75    79    80    83    67    68    69    70  
   71    72    73    76    81    74    75    79    67  
   68    69    70    71    74    76    81    82    85  
   69    70    81  
   70    81  
   81  
   72    73    76    77    78    81    82    85    74    75    79  
   73    76    77    78    81    74  
   76    77    78    81    74  
   75    79    80    83    84    76    81  
   79    80    83  
   77    78    81    82    85    86    87    91  
   78    81    82    85  
   81    82    85  
   80    83    84  
   83    84  
   82    85    86    87    88    89    90    91    92    93    94  
   85    86    87    91  
   84  
    0  
   86    87    88    89    90    91    92    93    94    95    96    97  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94    95    96    97    98    99  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   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   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    74   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    63   320.000  1.410
   62    65   268.000  1.529
   62    81   268.000  1.529
   62    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    87   268.000  1.529
   85    91   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   317.000  1.522
   97    98   656.000  1.250
   97    99   656.000  1.250
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    39   268.000  1.529
   79    83   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   83    84   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    79    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    74    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    74    65    58.35000  112.70000
   51    74    75    37.50000  110.70000
   51    74    79    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    63    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    65    58.35000  112.70000
   60    62    81    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    64    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    71    58.35000  112.70000
   62    65    74    58.35000  112.70000
   62    81    76    58.35000  112.70000
   62    81    82    37.50000  110.70000
   62    81    85    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    85    58.35000  112.70000
   78    76    77    33.00000  107.80000
   81    62    65    58.35000  112.70000
   81    76    77    37.50000  110.70000
   81    76    78    37.50000  110.70000
   81    85    86    37.50000  110.70000
   81    85    87    58.35000  112.70000
   81    85    91    58.35000  112.70000
   85    81    82    37.50000  110.70000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    90    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    58.35000  112.70000
   87    85    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    85    86    37.50000  110.70000
   91    85    87    58.35000  112.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    70.00000  109.69300
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    70.00000  117.00000
   94    97    99    70.00000  117.00000
   96    94    95    33.00000  107.80000
   97    94    95    35.00000  109.50000
   97    94    96    35.00000  109.50000
   99    97    98    80.00000  126.00000
   74    51    52    37.50000  110.70000
   74    51    57    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    39    58.35000  112.70000
   74    79    83    50.00000  109.50000
   79    74    75    37.50000  110.70000
   79    39    40    37.50000  110.70000
   79    39    41    37.50000  110.70000
   79    83    84    55.00000  108.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    79    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   83    79    80    35.00000  109.50000
   83    79    39    50.00000  109.50000
   67    62    65    58.35000  112.70000
   67    62    81    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   53    50    51    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
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
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   83    79    39    33   0.86500  1.0 1.0
   83    79    39    33  -0.17500 -1.0 2.0
   83    79    39    33   0.20800  1.0 3.0
   83    79    39    40   0.23400  1.0 3.0
   83    79    39    41   0.23400  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    71   0.56750  1.0 1.0
   67    62    65    71  -0.07550 -1.0 2.0
   67    62    65    71   0.20000  1.0 3.0
   67    62    65    74   0.56750  1.0 1.0
   67    62    65    74  -0.07550 -1.0 2.0
   67    62    65    74   0.20000  1.0 3.0
   67    62    81    76   0.56750  1.0 1.0
   67    62    81    76  -0.07550 -1.0 2.0
   67    62    81    76   0.20000  1.0 3.0
   67    62    81    82   0.15000  1.0 3.0
   67    62    81    85   0.56750  1.0 1.0
   67    62    81    85  -0.07550 -1.0 2.0
   67    62    81    85   0.20000  1.0 3.0
   63    60    62    65   0.86500  1.0 1.0
   63    60    62    65  -0.17500 -1.0 2.0
   63    60    62    65   0.20800  1.0 3.0
   63    60    62    81   0.86500  1.0 1.0
   63    60    62    81  -0.17500 -1.0 2.0
   63    60    62    81   0.20800  1.0 3.0
   63    60    62    67   0.86500  1.0 1.0
   63    60    62    67  -0.17500 -1.0 2.0
   63    60    62    67   0.20800  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    74   0.56750  1.0 1.0
   53    50    51    74  -0.07550 -1.0 2.0
   53    50    51    74   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
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   98    94    97    99  10.50000 -1.0 2.0
END
