* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    155    238     457
    1     0 S   NP   _N1_     1    28.92644    94.86337   -17.71001
    2     1 S   H    _HN1     2     1.02831    39.91509   148.29835
    3     1 S   H    _H1_     3     1.02775    71.34354   -56.19138
    4     1 S   H    _H2_     4     1.02956   104.22592    48.72942
    5     1 S   CT   _CA1     5     1.50248   141.10500  -158.86463
    6     5 S   HC   _HA1     6     1.09575   105.08734    26.21469
    7     5 S   CO3  _C1_     7     1.53860   112.43976   -93.57462
    8     7 S   O2Z  _O11     8     1.26459   115.11016   -35.98092
    9     7 S   O2Z  _O12     9     1.26237   114.99587   142.92453
   10     5 S   CT   _CB1    10     1.53112   107.28704   144.01426
   11    10 S   HC   HB11    11     1.09811   109.21050   -48.07565
   12    10 S   HC   HB12    12     1.09839   110.30985    68.36207
   13    10 S   CT   _CG1    13     1.53118   113.03553  -169.32987
   14    13 S   HC   HG11    14     1.09514   110.09161   -63.17037
   15    13 S   HC   HG12    15     1.09609   110.33587    55.93124
   16    13 S   C    _CD1    16     1.51964   111.87124   175.65247
   17    16 S   O    _OE1    17     1.22792   122.88610   -20.78830
   18    16 S   N    _N2_    18     1.38617   112.16339   160.26442
   19    18 S   H    _HN2    19     1.01564   118.94064     1.10712
   20    18 S   CT1  _CA2    20     1.46472   123.40296  -175.34226
   21    20 S   HC   _HA2    21     1.09750   109.29929   -19.57568
   22    20 S   C    _C2_    22     1.53278   108.26014  -135.42577
   23    22 S   O    _O2_    23     1.22998   122.33656  -144.22216
   24    20 S   CT   _CB2    32     1.53877   111.27214   102.52626
   25    24 S   HC   HB21    33     1.09175   108.77842    55.47310
   26    24 S   HC   HB22    34     1.09335   110.42288   173.81429
   27    22 S   N    _N3_    24     1.38528   113.20976    43.03686
   28    27 S   H    _HN3    25     1.01547   118.90478    -0.61580
   29    24 S   S    _SG2    35     1.82573   110.59491   -66.60609
   30    27 S   CT   _CA3    26     1.45429   123.34437   174.94057
   31    30 S   HC   HA31    27     1.09529   109.15349    26.51341
   32    30 S   HC   HA32    28     1.09493   107.16919   143.49992
   33    29 S   CT   _C17    36     1.87973   103.49850   163.80625
   34    30 S   CO3  _C3_    29     1.52924   113.06622   -96.88844
   35    34 S   O2Z  _O31    30     1.26402   115.37153   -46.32141
   36    34 S   O2Z  _O32    31     1.26350   115.00999   134.60175
   37    33 S   CT   _C16    37     1.55202   105.06600  -176.83882
   38    37 S   HC   _H14    38     1.09703   110.44088   -50.86878
   39    37 S   HC   _H15    39     1.09690   110.30411  -167.31615
   40    33 S   CT   _C8_    50     1.56374   112.16905   -59.20436
   41    40 S   HC   _H3_    51     1.09562   108.46354    59.54565
   42    33 S   CT   _C18    69     1.55179   109.36257    63.41017
   43    42 S   HC   _H16    70     1.09718   110.68649   170.19053
   44    42 S   HC   _H17    71     1.09700   108.90079   -73.74765
   45    37 S   CA   _C11    40     1.51493   114.26235    71.31707
   46    40 S   CO4  _C7_    52     1.54068   113.11967   174.82994
   47    46 S   O    _O34    53     1.23037   121.83520    67.96385
   48    42 S   CO4  _C19    72     1.52830   117.16264    49.04485
   49    48 S   O    _O37    73     1.23051   121.43753    48.14564
   50    45 S   CA   _C12    41     1.40607   118.33762  -157.15358
   51    50 S   HA   _H10    42     1.08745   119.66386    -0.22206
   52    46 S   CT   _C6_    54     1.51760   116.41198  -110.53427
   53    52 S   HC   _H8_    55     1.09436   107.34758    74.86223
   54    52 S   HC   _H9_    56     1.09489   109.30388   -43.10242
   55    48 S   CT   _C20    74     1.53196   115.95661  -136.34166
   56    55 S   HC   _H18    75     1.09877   107.60800   -77.45195
   57    55 S   HC   _H19    76     1.09806   108.42263    36.72048
   58    50 S   CA   _C13    43     1.39301   120.33570   179.06309
   59    52 S   CO4  _C5_    57     1.51283   115.48258  -163.39072
   60    59 S   O    _O33    58     1.23025   122.40262    35.09696
   61    55 S   CMA  _C21    77     1.52622   112.53913   157.09319
   62    61 S   OM   _O39    78     1.26178   111.52500   102.35510
   63    58 S   CA   _C14    44     1.38773   120.72385     0.57777
   64    63 S   HA   _H11    45     1.08604   120.21662   179.94065
   65    59 S   CT   _C4_    59     1.50618   116.53550  -147.95010
   66    65 S   HC   _H5_    60     1.09284   109.60933    60.51049
   67    65 S   HC   _H6_    61     1.09355   109.72773   179.80416
   68    65 S   HC   _H7_    62     1.09272   109.54034   -60.58410
   69    58 S   OH   _O36    67     1.36636   121.04678  -179.36112
   70    69 S   HO   _H13    68     0.97240   108.55675    -0.25869
   71    61 S   CM   _C22    79     1.35176   115.92588   -78.94217
   72    71 S   HC   _H20    80     1.08691   119.23319     0.94626
   73    63 S   CA   _C15    46     1.39418   119.02042     0.52749
   74    71 S   CO4  _C23    81     1.49078   124.47962  -179.41383
   75    74 S   O    _O38    82     1.22188   125.20621     1.25383
   76    45 S   CA   _C10    47     1.40802   121.95388    23.50920
   77    73 S   OH   _O35    65     1.37062   119.26666   179.30002
   78    77 S   HO   _H12    66     0.97565   108.57700    20.72940
   79    74 S   S    _S1_    83     1.76494   112.13768  -178.77795
   80    76 S   CT   _C9_    48     1.51214   121.62141    -0.23407
   81    80 S   HC   _H4_    49     1.09842   107.52602   127.67858
   82    79 S   CT   _C24    84     1.80536   100.30047  -179.01464
   83    82 S   HC   _H21    85     1.09324   109.27889   179.84805
   84    82 S   HC   _H22    86     1.09338   110.53510    60.51439
   85    82 S   HC   _H23    87     1.09339   110.53747   -60.81907
   86    80 S   OH   _O40    63     1.42990   108.86302  -117.25691
   87    86 S   HO   _H24    64     0.97197   107.41474  -162.37126
  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
  20   2   1   1  16   6   5  18   8  11   4   3  11  11   5   7
   4   9   4   9   4   3   7   4   3   7   5   4   6   3   8   4
   3   2   1   1   2   1   5   3   6   6   2   6   2   1   4   3
   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    80    40    41    46    42    43    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    50    76    80    81    40    41    46    47    52    86    42    43    44    48    49    55  
   35    36  
   36  
    0  
   38    39    45    50    51    58    73    76    80    40    41    46    42    43    44    48  
   39    45    50    76    40    42  
   45    50    76    40    42  
   41    46    47    52    53    54    59    86    87    42    43    44    48    45    73    76    80    81  
   46    47    52    86    42    76    80    81  
   43    44    48    49    55    56    57    61    45    46    80  
   44    48    49    55  
   48    49    55  
   50    51    58    63    73    76    80    81    86    77    69  
   47    52    53    54    59    60    65    86    76    80    81  
   52    53    54    59    80  
   49    55    56    57    61    62    71  
   55    56    57    61  
   51    58    63    64    73    76    80    69    70  
   58    63    76    69  
   53    54    59    60    65    66    67    68    80  
   54    59    60    65  
   59    60    65  
   56    57    61    62    71    72    74  
   57    61    62    71  
   61    62    71  
   63    64    73    76    77    69    70  
   60    65    66    67    68  
   65    66    67    68  
   62    71    72    74    75    79  
   71    72    74  
   64    73    76    80    77    78    69    70  
   73    76    77    69  
   66    67    68  
   67    68  
   68  
    0  
   70    73  
    0  
   72    74    75    79    82  
   74    75    79  
   76    80    81    86    77    78  
   75    79    82    83    84    85  
   79    82  
   80    81    86    87    77    78  
   78    80  
    0  
   82    83    84    85  
   81    86    87  
   86    87  
   83    84    85  
   84    85  
   85  
    0  
   87  
    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  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   80   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   317.000  1.510
   45    50   469.000  1.400
   45    76   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    63   469.000  1.400
   58    69   450.000  1.364
   63    64   367.000  1.080
   63    73   469.000  1.400
   73    76   469.000  1.400
   73    77   450.000  1.364
   76    80   317.000  1.510
   80    81   340.000  1.090
   80    40   268.000  1.529
   80    86   320.000  1.410
   40    41   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   317.000  1.522
   59    60   570.000  1.229
   59    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   86    87   553.000  0.945
   77    78   553.000  0.945
   69    70   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   570.000  1.229
   48    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   270.000  1.512
   61    62   745.000  1.250
   61    71   465.000  1.376
   71    72   340.000  1.080
   71    74   320.000  1.462
   74    75   570.000  1.229
   74    79   210.000  1.799
   79    82   222.000  1.810
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    70.00000  112.17500
   33    40    80    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    63.00000  111.10000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    48    63.00000  111.10000
   37    45    50    70.00000  120.00000
   37    45    76    70.00000  120.00000
   39    37    38    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    39    35.00000  109.50000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    76    73    63.00000  120.00000
   45    76    80    70.00000  120.00000
   50    58    63    63.00000  120.00000
   50    58    69    70.00000  120.00000
   58    50    51    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    73    63.00000  120.00000
   58    69    70    35.00000  113.00000
   63    73    76    63.00000  120.00000
   63    73    77    70.00000  120.00000
   73    63    64    35.00000  120.00000
   73    76    80    70.00000  120.00000
   73    77    78    35.00000  113.00000
   76    45    50    63.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    40    70.00000  112.17500
   76    80    86    90.00000  112.51600
   80    40    41    37.50000  110.70000
   80    40    46    63.00000  111.10000
   80    86    87    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    80    81    37.50000  110.70000
   40    46    47    80.00000  120.40000
   40    46    52    70.00000  116.00000
   46    40    41    35.00000  109.50000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    59    75.00000  107.99600
   52    46    47    80.00000  120.40000
   52    59    60    80.00000  120.40000
   52    59    65    70.00000  116.00000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   65    59    60    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   86    80    81    35.00000  109.50000
   86    80    40    50.00000  109.50000
   77    73    76    70.00000  120.00000
   69    58    63    70.00000  120.00000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    48    49    80.00000  120.40000
   42    48    55    70.00000  116.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    61    70.00000  109.06800
   55    48    49    80.00000  120.40000
   55    61    62    85.00000  112.85300
   55    61    71    65.00000  122.18000
   57    55    56    33.00000  107.80000
   61    55    56    45.00000  110.52000
   61    55    57    45.00000  110.52000
   61    71    72    40.00000  120.50800
   61    71    74    60.00000  125.92000
   71    61    62    65.00000  137.10300
   71    74    75    80.00000  123.72100
   71    74    79    65.00000  119.00000
   74    71    72    40.00000  117.72500
   74    79    82    90.00000   96.72000
   79    74    75    80.00000  121.30200
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    40    80   0.44750  1.0 1.0
   29    33    40    80  -0.17800 -1.0 2.0
   29    33    40    80   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    45    50   0.04150 -1.0 2.0
   33    37    45    76   0.04150 -1.0 2.0
   33    40    46    47   0.30150 -1.0 2.0
   33    40    46    52   0.60050  1.0 1.0
   33    40    46    52   0.05600 -1.0 2.0
   33    40    46    52   0.26150  1.0 3.0
   33    42    48    49   0.30150 -1.0 2.0
   33    42    48    55   0.60050  1.0 1.0
   33    42    48    55   0.05600 -1.0 2.0
   33    42    48    55   0.26150  1.0 3.0
   37    33    40    80   0.56750  1.0 1.0
   37    33    40    80  -0.07550 -1.0 2.0
   37    33    40    80   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46  -0.95700  1.0 1.0
   37    33    40    46  -0.18200 -1.0 2.0
   37    33    40    46   0.29450  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    48  -0.95700  1.0 1.0
   37    33    42    48  -0.18200 -1.0 2.0
   37    33    42    48   0.29450  1.0 3.0
   37    45    50    51   3.62500 -1.0 2.0
   37    45    50    58   3.62500 -1.0 2.0
   37    45    76    73   3.62500 -1.0 2.0
   37    45   -76    80   3.62500 -1.0 2.0
   38    37    45    50   0.00000  1.0 1.0
   38    37    45    76   0.00000  1.0 1.0
   39    37    45    50   0.00000  1.0 1.0
   39    37    45    76   0.00000  1.0 1.0
   45    50    58    63   3.62500 -1.0 2.0
   45    50    58    69   3.62500 -1.0 2.0
   45    76    80    81   0.00000  1.0 1.0
   45    76    80    40   0.04150 -1.0 2.0
   45    76    80    86   0.14300 -1.0 2.0
   45    76    80    86   0.00300  1.0 3.0
   50    45    76    73   3.62500 -1.0 2.0
   50    45    76    80   3.62500 -1.0 2.0
   50    58    63    64   3.62500 -1.0 2.0
   50    58   -63    73   3.62500 -1.0 2.0
   50    58    69    70   0.84100 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   51    50    58    69   3.62500 -1.0 2.0
   58    63    73    76   3.62500 -1.0 2.0
   58    63    73    77   3.62500 -1.0 2.0
   63    58    69    70   0.84100 -1.0 2.0
   63    73   -76    45   3.62500 -1.0 2.0
   63    73    76    80   3.62500 -1.0 2.0
   63    73    77    78   0.84100 -1.0 2.0
   64    63    73    76   3.62500 -1.0 2.0
   64    63    73    77   3.62500 -1.0 2.0
   73    76    80    81   0.00000  1.0 1.0
   73    76    80    40   0.04150 -1.0 2.0
   73    76    80    86   0.14300 -1.0 2.0
   73    76    80    86   0.00300  1.0 3.0
   76    45    50    51   3.62500 -1.0 2.0
   76    45   -50    58   3.62500 -1.0 2.0
   76    73    77    78   0.84100 -1.0 2.0
   76    80   -40    33  -0.03700  1.0 1.0
   76    80   -40    33   0.37200 -1.0 2.0
   76    80   -40    33  -0.47300  1.0 3.0
   76    80    40    41   0.43200  1.0 3.0
   76    80    40    46   0.56750  1.0 1.0
   76    80    40    46  -0.07550 -1.0 2.0
   76    80    40    46   0.20000  1.0 3.0
   76    80    86    87   0.31900  1.0 1.0
   76    80    86    87  -0.11800 -1.0 2.0
   76    80    86    87   0.38750  1.0 3.0
   80    40    46    47   0.30150 -1.0 2.0
   80    40    46    52   0.60050  1.0 1.0
   80    40    46    52   0.05600 -1.0 2.0
   80    40    46    52   0.26150  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.15000  1.0 3.0
   81    80    40    46  -0.11250  1.0 3.0
   81    80    86    87   0.19450  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    45  -0.03700  1.0 1.0
   40    33   -37    45   0.37200 -1.0 2.0
   40    33   -37    45  -0.47300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    48  -0.95700  1.0 1.0
   40    33    42    48  -0.18200 -1.0 2.0
   40    33    42    48   0.29450  1.0 3.0
   40    80    86    87  -0.11600  1.0 1.0
   40    80    86    87  -0.09450 -1.0 2.0
   40    80    86    87   0.21250  1.0 3.0
   40    46    52    53   0.00000  1.0 1.0
   40    46    52    54   0.00000  1.0 1.0
   40    46    52    59   0.65300  1.0 1.0
   40    46    52    59  -0.03850 -1.0 2.0
   40    46    52    59   0.33900  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    52   0.00000  1.0 1.0
   46    52    59    60   0.30150 -1.0 2.0
   46    52    59    65   0.65300  1.0 1.0
   46    52    59    65  -0.03850 -1.0 2.0
   46    52    59    65   0.33900  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.00000  1.0 1.0
   47    46    52    59   0.30150 -1.0 2.0
   52    59    65    66   0.00000  1.0 1.0
   52    59    65    67   0.00000  1.0 1.0
   52    59    65    68   0.00000  1.0 1.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.00000  1.0 1.0
   54    52    59    60   0.00000  1.0 1.0
   54    52    59    65   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    68   0.00000  1.0 1.0
   86    80    40    33   0.86500  1.0 1.0
   86    80    40    33  -0.17500 -1.0 2.0
   86    80    40    33   0.20800  1.0 3.0
   86    80    40    41   0.23400  1.0 3.0
   86    80    40    46  -0.09450  1.0 1.0
   86    80    40    46  -1.12950 -1.0 2.0
   86    80    40    46   0.54000  1.0 3.0
   77    73    76    45   3.62500 -1.0 2.0
   77    73    76    80   3.62500 -1.0 2.0
   69    58    63    64   3.62500 -1.0 2.0
   69    58    63    73   3.62500 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45  -0.03700  1.0 1.0
   42    33    37    45   0.37200 -1.0 2.0
   42    33    37    45  -0.47300  1.0 3.0
   42    33    40    80   0.56750  1.0 1.0
   42    33    40    80  -0.07550 -1.0 2.0
   42    33    40    80   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46  -0.95700  1.0 1.0
   42    33    40    46  -0.18200 -1.0 2.0
   42    33    40    46   0.29450  1.0 3.0
   42    48    55    56   0.00000  1.0 1.0
   42    48    55    57   0.00000  1.0 1.0
   42    48    55    61   0.65300  1.0 1.0
   42    48    55    61  -0.03850 -1.0 2.0
   42    48    55    61   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    55   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    55   0.00000  1.0 1.0
   48    55    61    62   0.09700  1.0 1.0
   48    55    61    62   0.15600 -1.0 2.0
   48    55    61    62  -0.50800  1.0 3.0
   48    55    61    71  -0.51250  1.0 1.0
   48    55    61    71  -0.88800 -1.0 2.0
   48    55    61    71   0.08850  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   49    48    55    61   0.30150 -1.0 2.0
   55    61    71    72   7.00000 -1.0 2.0
   55    61    71    74   7.00000 -1.0 2.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    71   0.00000  1.0 1.0
   57    55    61    62   0.00000  1.0 1.0
   57    55    61    71   0.00000  1.0 1.0
   61    71    74    75   1.00000 -1.0 2.0
   61    71    74    79   0.50400  1.0 1.0
   61    71    74    79   1.60000 -1.0 2.0
   61    71    74    79  -0.01800  1.0 3.0
   62    61    71    72   7.00000 -1.0 2.0
   62    61    71    74   7.00000 -1.0 2.0
   71    74    79    82  -0.11550  1.0 1.0
   71    74    79    82   1.88700 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    79   0.92800 -1.0 2.0
   74    79    82    83   0.24000  1.0 3.0
   74    79    82    84   0.24000  1.0 3.0
   74    79    82    85   0.24000  1.0 3.0
   75    74    79    82  -0.11550  1.0 1.0
   75    74    79    82   1.88700 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   50    76    45    37   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   63    69    58    50   4.00000 -1.0 2.0
   73    64    63    58   1.10000 -1.0 2.0
   76    77    73    63   4.00000 -1.0 2.0
   73    80    76    45   4.00000 -1.0 2.0
   40    52    46    47  10.50000 -1.0 2.0
   52    65    59    60  10.50000 -1.0 2.0
   42    55    48    49  10.50000 -1.0 2.0
   55    62    61    71  15.00000 -1.0 2.0
   74    72    71    61  15.00000 -1.0 2.0
   71    79    74    75  10.50000 -1.0 2.0
END
