* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    250     486
    1     0 S   NP   _N1_     1    28.82184    95.06290   -21.22270
    2     1 S   H    _HN1     2     1.02854    88.65165    11.72909
    3     1 S   H    _H1_     3     1.02946    37.13174   133.47215
    4     1 S   H    _H2_     4     1.02787    84.29790   -96.76048
    5     1 S   CT   _CA1     5     1.50452   146.99669   140.74871
    6     5 S   HC   _HA1     6     1.09683   104.71787    58.35878
    7     5 S   CO3  _C1_     7     1.54586   110.77847   -57.90828
    8     7 S   O2Z  _O11     8     1.26065   116.69937  -113.40940
    9     7 S   O2Z  _O12     9     1.26568   113.73388    64.89219
   10     5 S   CT   _CB1    10     1.53107   107.08053   174.58510
   11    10 S   HC   HB11    11     1.09817   110.39096   -42.06494
   12    10 S   HC   HB12    12     1.09772   109.99443    74.67014
   13    10 S   CT   _CG1    13     1.52998   111.92723  -162.55702
   14    13 S   HC   HG11    14     1.09459   110.46705   -48.56113
   15    13 S   HC   HG12    15     1.09614   109.96443    70.26113
   16    13 S   C    _CD1    16     1.51678   112.35865  -168.93904
   17    16 S   O    _OE1    17     1.22757   123.18540    -9.19471
   18    16 S   N    _N2_    18     1.38561   111.61791   170.31594
   19    18 S   H    _HN2    19     1.01998   118.87441     6.51051
   20    18 S   CT1  _CA2    20     1.46132   123.42992  -172.15002
   21    20 S   HC   _HA2    21     1.09734   109.14149   -16.42974
   22    20 S   C    _C2_    22     1.53402   109.43442  -132.45772
   23    22 S   O    _O2_    23     1.23066   122.10414  -152.17612
   24    20 S   CT   _CB2    32     1.53603   110.96909   105.10948
   25    24 S   HC   HB21    33     1.09596   109.50025    56.05668
   26    24 S   HC   HB22    34     1.09388   110.57764   175.01037
   27    22 S   N    _N3_    24     1.38436   113.62090    35.74065
   28    27 S   H    _HN3    25     1.01530   118.85340    -3.20870
   29    24 S   S    _SG2    35     1.82941   111.59926   -64.79899
   30    27 S   CT   _CA3    26     1.45377   123.28435   174.96713
   31    30 S   HC   HA31    27     1.09546   108.86414    30.76535
   32    30 S   HC   HA32    28     1.09490   107.20234   147.65498
   33    29 S   CT   _C11    36     1.84213    99.71099   166.54915
   34    33 S   HC   _H3_    37     1.09434   106.43338   -35.06378
   35    30 S   CO3  _C3_    29     1.52953   113.43949   -92.48289
   36    35 S   O2Z  _O31    30     1.26394   115.60325   -42.25197
   37    35 S   O2Z  _O32    31     1.26407   114.91757   138.75907
   38    33 S   CM   _C10    38     1.51239   108.46068    82.97745
   39    38 S   HC   _H18    39     1.08899   115.99468    56.20279
   40    33 S   CT   _C12    58     1.54339   112.85981  -152.32440
   41    40 S   HC   _H4_    59     1.09925   109.54850  -171.05881
   42    38 S   CMA  _C9_    40     1.35277   125.42644  -123.31845
   43    42 S   OM   _O37    41     1.26230   131.15711    -1.55997
   44    40 S   CO4  _C16    60     1.52473   116.37463   -50.59443
   45    44 S   O    _O33    61     1.22508   124.94172   -44.46781
   46    42 S   CT   _C8_    42     1.53194   116.97202  -179.94405
   47    46 S   HC   _H16    43     1.09934   110.27604    17.14591
   48    46 S   HC   _H17    44     1.10055   109.85305   131.68433
   49    44 S   CT   _C15    62     1.51001   112.31051   136.13626
   50    49 S   HC   _H19    63     1.09257   110.23612   133.20211
   51    49 S   HC   _H20    64     1.09382   108.25447  -104.70479
   52    46 S   CT   _C7_    45     1.54004   115.10162  -105.35058
   53    52 S   HC   _H14    46     1.09735   108.03826  -176.45630
   54    52 S   HC   _H15    47     1.09695   110.13258   -60.56973
   55    49 S   CT   _C14    65     1.52439   102.09934    12.99775
   56    55 S   HC   _H6_    66     1.09470   111.69906  -154.38591
   57    52 S   CT   _C6_    48     1.53119   113.25587    62.66763
   58    57 S   HC   _H12    49     1.09671   109.61929    55.38225
   59    57 S   HC   _H13    50     1.09498   110.00149   -62.32435
   60    40 S   CT   _C13    67     1.55312   114.22618    66.60828
   61    60 S   HC   _H5_    68     1.09815   109.66339   -43.31404
   62    55 S   OH   _O34    88     1.42395   109.55814    85.78943
   63    62 S   HO   _H21    89     0.97253   107.44533    65.25455
   64    57 S   CT   _C5_    51     1.52872   111.36272   176.81058
   65    64 S   HC   _H10    52     1.09614   109.89416   -59.92948
   66    64 S   HC   _H11    53     1.09622   109.87087    57.86638
   67    60 S   CT   _C17    69     1.53539   112.20286    77.78618
   68    67 S   HC   _H22    70     1.09708   110.72973    59.05188
   69    67 S   HC   _H23    71     1.09581   110.09109   -56.64893
   70    64 S   CT   _C4_    54     1.52058   111.39346   178.89518
   71    70 S   HC   _H7_    55     1.09487   110.99176   -60.28864
   72    70 S   HC   _H8_    56     1.09446   110.26615   179.97202
   73    70 S   HC   _H9_    57     1.09467   110.99803    60.21023
   74    67 S   CM   _C18    72     1.50241   112.79563  -179.33618
   75    74 S   HC   _H24    73     1.08801   116.02765   -90.56840
   76    74 S   CM   _C19    74     1.34211   126.07495    90.90046
   77    76 S   HC   _H25    75     1.08826   117.81354   178.52621
   78    76 S   CT   _C20    76     1.50172   126.32776    -3.91236
   79    78 S   HC   _H26    77     1.09615   107.67383  -133.46276
   80    78 S   HC   _H27    78     1.09548   111.30698   -17.59604
   81    78 S   CT   _C21    79     1.53024   111.74150   105.66765
   82    81 S   HC   _H28    80     1.09716   109.78007    61.13797
   83    81 S   HC   _H29    81     1.09742   109.49898   -55.69005
   84    81 S   CT   _C22    82     1.52632   112.08685  -175.93745
   85    84 S   HC   _H30    83     1.09657   109.44375   174.70051
   86    84 S   HC   _H31    84     1.09666   110.17311    57.49303
   87    84 S   CO3  _C23    85     1.52832   112.12745   -65.72594
   88    87 S   O2Z  _O36    86     1.26249   115.47803   -62.22022
   89    87 S   O2Z  _O35    87     1.26345   114.80705   118.07452
  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   9   5   4   3
  15   7   2   1   1  11   4  16   7   8   4  10   5   9   5   4
   9   5   4   9   5   4   9   5   9   5   4   9   5   2   1   6
   5   4   7   4   3   3   2   1   1   7   3   8   4   9   5   4
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    55    60    61    67  
   38    39    42    40    41    44    60  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    40    41    44    60  
   42    43    46    40  
   41    44    45    49    50    51    55    56    60    61    67    68    69    74    62    42  
   44    45    49    55    60    61    67  
   43    46    47    48    52    53    54    57  
   46    47    48    52  
   45    49    50    51    55    56    60    61    67    62  
   49    50    51    55    60  
   47    48    52    53    54    57    58    59    64  
   48    52    53    54    57  
   52    53    54    57  
   50    51    55    56    60    61    67    62    63  
   51    55    56    60    62  
   55    56    60    62  
   53    54    57    58    59    64    65    66    70  
   54    57    58    59    64  
   57    58    59    64  
   56    60    61    67    68    69    74    62    63  
   60    61    67    62    63  
   58    59    64    65    66    70    71    72    73  
   59    64    65    66    70  
   64    65    66    70  
   61    67    68    69    74    75    76    62    63  
   67    68    69    74    62  
   63    67  
    0  
   65    66    70    71    72    73  
   66    70    71    72    73  
   70    71    72    73  
   68    69    74    75    76    77    78  
   69    74    75    76  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   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   3.5500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   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  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    60   268.000  1.529
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    62   320.000  1.410
   60    61   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   340.000  1.080
   76    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    60    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    52    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    64    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    73    37.50000  110.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.00000
   40    60    55    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    67    58.35000  112.70000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    55    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    55    56    37.50000  110.70000
   49    55    60    58.35000  112.70000
   49    55    62    50.00000  109.50000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    67    58.35000  112.70000
   55    62    63    55.00000  108.50000
   60    40    41    37.50000  110.70000
   60    40    44    63.00000  111.10000
   60    55    56    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    74    70.00000  112.02700
   67    60    61    37.50000  110.70000
   67    74    75    35.00000  117.00000
   67    74    76    70.00000  124.00000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   74    76    77    35.00000  120.00000
   74    76    78    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    70.00000  112.02700
   78    76    77    35.00000  117.00000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
   62    55    56    35.00000  109.50000
   62    55    60    50.00000  109.50000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    60   0.44750  1.0 1.0
   29    33    40    60  -0.17800 -1.0 2.0
   29    33    40    60   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   0.60050  1.0 1.0
   33    40    44    49   0.05600 -1.0 2.0
   33    40    44    49   0.26150  1.0 3.0
   33    40    60    55   0.56750  1.0 1.0
   33    40    60    55  -0.07550 -1.0 2.0
   33    40    60    55   0.20000  1.0 3.0
   33    40    60    61   0.15000  1.0 3.0
   33    40    60    67   0.56750  1.0 1.0
   33    40    60    67  -0.07550 -1.0 2.0
   33    40    60    67   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    60   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    60   0.34400  1.0 1.0
   38    33    40    60   0.09450 -1.0 2.0
   38    33    40    60   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    52   0.09850  1.0 1.0
   38    42    46    52   0.15250 -1.0 2.0
   38    42    46    52  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    52    53   0.15000  1.0 3.0
   42    46    52    54   0.15000  1.0 3.0
   42    46    52    57   0.34400  1.0 1.0
   42    46    52    57   0.09450 -1.0 2.0
   42    46    52    57   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    52   0.09700  1.0 1.0
   43    42    46    52   0.15600 -1.0 2.0
   43    42    46    52  -0.50800  1.0 3.0
   46    52    57    58   0.15000  1.0 3.0
   46    52    57    59   0.15000  1.0 3.0
   46    52    57    64   0.56750  1.0 1.0
   46    52    57    64  -0.07550 -1.0 2.0
   46    52    57    64   0.20000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    57   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    54   0.15000  1.0 3.0
   48    46    52    57   0.15000  1.0 3.0
   52    57    64    65   0.15000  1.0 3.0
   52    57    64    66   0.15000  1.0 3.0
   52    57    64    70   0.56750  1.0 1.0
   52    57    64    70  -0.07550 -1.0 2.0
   52    57    64    70   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    64   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    64   0.15000  1.0 3.0
   57    64    70    71   0.15000  1.0 3.0
   57    64    70    72   0.15000  1.0 3.0
   57    64    70    73   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    70   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    70   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    73   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    73   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    51   0.00000  1.0 1.0
   40    44   -49    55   0.60050  1.0 1.0
   40    44   -49    55   0.05600 -1.0 2.0
   40    44   -49    55   0.26150  1.0 3.0
   40    60    67    68   0.15000  1.0 3.0
   40    60    67    69   0.15000  1.0 3.0
   40    60    67    74   0.34400  1.0 1.0
   40    60    67    74   0.09450 -1.0 2.0
   40    60    67    74   0.11100  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   41    40    60    55   0.15000  1.0 3.0
   41    40    60    61   0.15000  1.0 3.0
   41    40    60    67   0.15000  1.0 3.0
   44    40   -60    55  -0.95700  1.0 1.0
   44    40   -60    55  -0.18200 -1.0 2.0
   44    40   -60    55   0.29450  1.0 3.0
   44    40    60    61  -0.11250  1.0 3.0
   44    40    60    67  -0.95700  1.0 1.0
   44    40    60    67  -0.18200 -1.0 2.0
   44    40    60    67   0.29450  1.0 3.0
   44    49    55    56  -0.11250  1.0 3.0
   44    49   -55    60  -0.95700  1.0 1.0
   44    49   -55    60  -0.18200 -1.0 2.0
   44    49   -55    60   0.29450  1.0 3.0
   44    49    55    62  -0.09450  1.0 1.0
   44    49    55    62  -1.12950 -1.0 2.0
   44    49    55    62   0.54000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    55   0.30150 -1.0 2.0
   49    55   -60    40   0.56750  1.0 1.0
   49    55   -60    40  -0.07550 -1.0 2.0
   49    55   -60    40   0.20000  1.0 3.0
   49    55    60    61   0.15000  1.0 3.0
   49    55    60    67   0.56750  1.0 1.0
   49    55    60    67  -0.07550 -1.0 2.0
   49    55    60    67   0.20000  1.0 3.0
   49    55    62    63  -0.11600  1.0 1.0
   49    55    62    63  -0.09450 -1.0 2.0
   49    55    62    63   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    60   0.15000  1.0 3.0
   50    49    55    62   0.23400  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    60   0.15000  1.0 3.0
   51    49    55    62   0.23400  1.0 3.0
   55    60    67    68   0.15000  1.0 3.0
   55    60    67    69   0.15000  1.0 3.0
   55    60    67    74   0.34400  1.0 1.0
   55    60    67    74   0.09450 -1.0 2.0
   55    60    67    74   0.11100  1.0 3.0
   56    55    60    40   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   60    40    44    45   0.30150 -1.0 2.0
   60    40   -44    49   0.60050  1.0 1.0
   60    40   -44    49   0.05600 -1.0 2.0
   60    40   -44    49   0.26150  1.0 3.0
   60    55    62    63  -0.11600  1.0 1.0
   60    55    62    63  -0.09450 -1.0 2.0
   60    55    62    63   0.21250  1.0 3.0
   60    67    74    75   0.00000  1.0 1.0
   60    67    74    76   0.09850  1.0 1.0
   60    67    74    76   0.15250 -1.0 2.0
   60    67    74    76  -0.50650  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    74   0.15000  1.0 3.0
   67    74    76    77   7.00000 -1.0 2.0
   67    74    76    78   7.00000 -1.0 2.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    76   0.00000  1.0 1.0
   69    67    74    75   0.33100  1.0 3.0
   69    67    74    76   0.00000  1.0 1.0
   74    76    78    79   0.00000  1.0 1.0
   74    76    78    80   0.00000  1.0 1.0
   74    76    78    81   0.09850  1.0 1.0
   74    76    78    81   0.15250 -1.0 2.0
   74    76    78    81  -0.50650  1.0 3.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    78   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.34400  1.0 1.0
   76    78    81    84   0.09450 -1.0 2.0
   76    78    81    84   0.11100  1.0 3.0
   77    76    78    79   0.33100  1.0 3.0
   77    76    78    80   0.33100  1.0 3.0
   77    76    78    81   0.00000  1.0 1.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87  -1.63150  1.0 1.0
   78    81    84    87  -0.43550 -1.0 2.0
   78    81    84    87   0.24500  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   62    55    60    40   0.86500  1.0 1.0
   62    55    60    40  -0.17500 -1.0 2.0
   62    55    60    40   0.20800  1.0 3.0
   62    55    60    61   0.23400  1.0 3.0
   62    55    60    67   0.86500  1.0 1.0
   62    55    60    67  -0.17500 -1.0 2.0
   62    55    60    67   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   67    75    74    76  15.00000 -1.0 2.0
   78    77    76    74  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
