* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    162    258     489
    1     0 S   NP   _N1_     1    29.90624    94.45789   -18.19435
    2     1 S   H    _HN1     2     1.02937   122.06007    73.22366
    3     1 S   H    _H1_     3     1.02847    23.66403   127.56644
    4     1 S   H    _H2_     4     1.02776    85.33032   -35.64054
    5     1 S   CT   _CA1     5     1.50371   115.02294  -148.26242
    6     5 S   HC   _HA1     6     1.09545   104.99762    35.03963
    7     5 S   CO3  _C1_     7     1.53914   112.75318   -84.56320
    8     7 S   O2Z  _O11     8     1.26415   114.95367   -21.10781
    9     7 S   O2Z  _O12     9     1.26190   115.37747   158.20096
   10     5 S   CT   _CB1    10     1.53098   107.27181   153.38139
   11    10 S   HC   HB11    11     1.09855   109.68563   -40.42424
   12    10 S   HC   HB12    12     1.09824   110.19110    75.90985
   13    10 S   CT   _CG1    13     1.53144   113.10860  -161.38740
   14    13 S   HC   HG11    14     1.09489   111.33581   -68.20942
   15    13 S   HC   HG12    15     1.09586   110.91249    51.41102
   16    13 S   C    _CD1    16     1.51415   109.57195   170.51525
   17    16 S   O    _OE1    17     1.22845   121.79330   -92.12967
   18    16 S   N    _N2_    18     1.38093   112.79510    85.19239
   19    18 S   H    _HN2    19     1.01767   119.24685     9.79470
   20    18 S   CT1  _CA2    20     1.45949   123.43298  -174.28241
   21    20 S   HC   _HA2    21     1.09720   109.88921    17.65413
   22    20 S   C    _C2_    22     1.52762   105.90718   -99.60379
   23    22 S   O    _O2_    23     1.22958   122.77068   -93.04127
   24    20 S   CT   _CB2    32     1.53162   110.50721   139.82771
   25    24 S   HC   HB21    33     1.09540   110.67443    51.96982
   26    24 S   HC   HB22    34     1.09513   110.45040   171.58298
   27    22 S   N    _N3_    24     1.38604   112.63653    83.76045
   28    27 S   H    _HN3    25     1.01573   119.47805     3.28325
   29    24 S   S    _SG2    35     1.82553   110.17012   -68.75524
   30    27 S   CT   _CA3    26     1.45410   122.87167   179.82983
   31    30 S   HC   HA31    27     1.09548   108.82806    32.90519
   32    30 S   HC   HA32    28     1.09488   107.23569   149.80860
   33    29 S   CT   _C17    36     1.84135    99.28209   163.13838
   34    33 S   HC   _H3_    37     1.09585   105.87222    41.54420
   35    30 S   CO3  _C3_    29     1.52953   113.42787   -90.27839
   36    35 S   O2Z  _O31    30     1.26381   115.56081   -42.43170
   37    35 S   O2Z  _O32    31     1.26386   114.89407   138.49746
   38    33 S   CT   _C6_    38     1.54938   113.23384   159.44618
   39    38 S   HC   _H30    39     1.10115   106.80889  -170.29878
   40    33 S   OS   _O20    53     1.44228   112.01308   -73.20256
   41    38 S   CT   _C7_    40     1.52549   109.61378    74.39203
   42    41 S   HC   _H31    41     1.09848   109.99327   -66.07705
   43    38 S   CO3  _C4_    83     1.54052   110.84986   -56.31233
   44    43 S   O2Z  _O17    84     1.26522   114.58470   -61.82543
   45    43 S   O2Z  _O18    85     1.26184   116.30448   118.77359
   46    41 S   CT   _C5_    42     1.52678   117.60767   169.40708
   47    46 S   HC   _H28    43     1.09684   110.11740   -41.16753
   48    46 S   HC   _H29    44     1.09386   112.17975    79.53367
   49    46 S   CT   _C10    45     1.54040   103.80253  -158.49427
   50    49 S   HC   _H34    46     1.09575   110.04862   138.93597
   51    49 S   CT   _C9_    47     1.55513   106.86735    19.04591
   52    51 S   HC   _H33    48     1.09762   108.91293   124.41716
   53    49 S   OH   _O21    81     1.42082   110.09044  -102.69262
   54    53 S   HO   _H47    82     0.97248   107.49037   -58.58790
   55    41 S   CT   _C8_    49     1.52480   108.83919    55.10455
   56    55 S   HC   _H32    50     1.10312   108.28903    58.64752
   57    51 S   CT   _C18    77     1.52862   114.18082  -115.46726
   58    57 S   HC   _H42    78     1.09473   111.92908    61.61776
   59    57 S   HC   _H43    79     1.09522   110.72003   -59.16451
   60    57 S   HC   _H44    80     1.09416   111.02406  -177.68641
   61    55 S   CO   _C15    51     1.52434   111.32742   -58.50168
   62    61 S   HC   _H39    52     1.09587   111.12301   -63.60025
   63    61 S   OS1  _O26    54     1.43032   105.96955   176.66916
   64    63 S   CO1  _C16    55     1.42951   114.48632   154.60601
   65    64 S   HC   _H40    56     1.09593   108.41808   -51.16406
   66    64 S   CT   _C13    57     1.53621   107.21670  -169.05269
   67    66 S   HC   _H37    58     1.09582   110.65070    58.71855
   68    66 S   CT   _C11    59     1.52948   110.11987  -178.52913
   69    68 S   HC   _H35    60     1.09581   108.54324   -68.07841
   70    66 S   OH5  _O24    75     1.43232   109.16783   -57.48427
   71    70 S   HO   _H50    76     0.97331   106.82323  -164.16032
   72    68 S   CT   _C12    61     1.53273   111.77341    51.74147
   73    72 S   HC   _H36    62     1.09625   109.40219  -173.19289
   74    68 S   OH5  _O22    73     1.42533   109.50240   175.38068
   75    74 S   HO   _H48    74     0.97239   107.49111  -177.28560
   76    72 S   CT   _C14    63     1.53772   109.44831   -51.63361
   77    76 S   HC   _H38    64     1.09799   109.89950   -63.17448
   78    72 S   OH5  _O23    71     1.42796   109.52587    70.16358
   79    78 S   HO   _H49    72     0.97155   108.13465   169.81229
   80    64 S   OS1  _O19    65     1.43104   112.76429    69.32280
   81    76 S   CT   _C19    66     1.52684   112.25614   175.49102
   82    81 S   HC   _H45    67     1.09410   111.29917    46.22231
   83    81 S   HC   _H46    68     1.09476   111.49795   -76.77665
   84    81 S   OH5  _O25    69     1.42161   108.44264   164.57344
   85    84 S   HO   _H51    70     0.97367   107.57576   173.20355
  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   8   5   4   3
  14   6   2   1   1  15   8   9  18   9   4   1   1  12   6   5
  12   6  12   8   3   1   9   4   4   2   1   1   6   2   8  13
   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4
   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    41    61    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    46    55    61    62    40    63    43    44    45  
   38    39    41    61    40    43  
   36    37  
   37  
    0  
   39    41    42    46    47    48    49    51    55    56    61    40    43    44    45  
   41    42    46    55    40    43    44    45  
   63    64    43    41    51    55    56    61    62  
   42    46    47    48    49    50    51    52    55    56    61    62    63    57    53    43    44    45  
   46    47    48    49    51    55    56    61    43  
   44    45    46    55  
   45  
    0  
   47    48    49    50    51    52    55    56    61    57    53    54  
   48    49    50    51    55    53  
   49    50    51    55    53  
   50    51    52    55    56    61    57    58    59    60    53    54  
   51    52    55    57    53    54  
   52    55    56    61    62    63    57    58    59    60    53    54  
   55    56    61    57    58    59    60    53  
   54    55    57  
    0  
   56    61    62    63    64    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    80  
   63    64  
   64    65    66    67    68    76    80    70  
   65    66    67    68    69    72    76    77    80    81    74    70    71  
   66    67    68    76    80    70  
   67    68    69    72    73    76    80    78    74    75    70    71  
   68    69    72    80    74    70    71  
   69    72    73    76    77    80    81    78    79    74    75    70    71  
   72    73    76    78    74    75    70  
   71    72    74    80  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   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    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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    55   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   268.000  1.529
   55    56   340.000  1.090
   55    61   250.000  1.527
   61    62   340.000  1.090
   61    40   320.000  1.380
   61    63   320.000  1.380
   63    64   370.000  1.399
   64    65   360.000  1.097
   64    66   255.000  1.525
   64    80   370.000  1.399
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    54   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
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  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    40    61    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    46    58.35000  112.70000
   38    41    55    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   41    38    39    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    58.35000  112.70000
   41    55    51    58.35000  112.70000
   41    55    56    37.50000  110.70000
   41    55    61    75.00000  109.43000
   46    41    42    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    53    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    55    58.35000  112.70000
   49    51    57    58.35000  112.70000
   49    53    54    55.00000  108.50000
   51    49    50    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    61    75.00000  109.43000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   55    41    42    37.50000  110.70000
   55    41    46    58.35000  112.70000
   55    51    52    37.50000  110.70000
   55    61    62    45.00000  112.01100
   55    61    40    90.00000  108.56700
   55    61    63    90.00000  108.56700
   61    55    56    45.00000  108.72000
   61    63    64    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    61    62    35.00000  109.50000
   63    61    62    35.00000  109.50000
   63    61    40    92.60000  111.55000
   63    64    65    60.00000  105.75400
   63    64    66    90.00000  109.70700
   63    64    80   110.00000  113.16000
   64    66    67    45.00000  109.54000
   64    66    68    70.00000  111.10000
   64    66    70    90.00000  109.42000
   64    80    76    90.00000  112.10700
   66    64    65    45.00000  111.65000
   66    68    69    37.50000  110.70000
   66    68    72    58.35000  112.70000
   66    68    74    90.00000  111.45300
   66    70    71    65.00000  108.53500
   68    66    67    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    58.35000  112.70000
   68    72    78    90.00000  111.45300
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    64    65    60.00000  105.75400
   80    64    66    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    66    67    60.00000  109.39000
   70    66    68    90.00000  111.45300
   57    51    52    37.50000  110.70000
   57    51    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    51    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    70.00000  109.69300
   45    43    44    80.00000  126.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    61   0.14700  1.0 1.0
   29    33    40    61  -1.16150 -1.0 2.0
   29    33    40    61   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    38    41    55   0.56750  1.0 1.0
   33    38    41    55  -0.07550 -1.0 2.0
   33    38    41    55   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    61   0.37050  1.0 3.0
   38    33    40    61   0.06250  1.0 1.0
   38    33    40    61  -0.01100 -1.0 2.0
   38    33    40    61   0.28050  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    48   0.15000  1.0 3.0
   38    41    46    49   0.56750  1.0 1.0
   38    41    46    49  -0.07550 -1.0 2.0
   38    41    46    49   0.20000  1.0 3.0
   38    41    55    51   0.56750  1.0 1.0
   38    41    55    51  -0.07550 -1.0 2.0
   38    41    55    51   0.20000  1.0 3.0
   38    41    55    56   0.15000  1.0 3.0
   38    41   -55    61   3.97050  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   39    38    41    55   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   41    38    43    44   0.41150 -1.0 2.0
   41    38    43    45   0.41150 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46   -49    51   0.56750  1.0 1.0
   41    46   -49    51  -0.07550 -1.0 2.0
   41    46   -49    51   0.20000  1.0 3.0
   41    46    49    53   0.86500  1.0 1.0
   41    46    49    53  -0.17500 -1.0 2.0
   41    46    49    53   0.20800  1.0 3.0
   41    55    61    62   0.15000  1.0 3.0
   41    55    61    40   0.62750  1.0 1.0
   41    55    61    40  -0.30950 -1.0 2.0
   41    55    61    40   0.27300  1.0 3.0
   41    55    61    63   0.62750  1.0 1.0
   41    55    61    63  -0.30950 -1.0 2.0
   41    55    61    63   0.27300  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    55    51   0.15000  1.0 3.0
   42    41    55    56   0.15000  1.0 3.0
   42    41    55    61   0.15000  1.0 3.0
   46    41   -55    51   0.56750  1.0 1.0
   46    41   -55    51  -0.07550 -1.0 2.0
   46    41   -55    51   0.20000  1.0 3.0
   46    41    55    56   0.15000  1.0 3.0
   46    41    55    61   3.97050  1.0 1.0
   46    49    51    52   0.15000  1.0 3.0
   46    49   -51    55   0.56750  1.0 1.0
   46    49   -51    55  -0.07550 -1.0 2.0
   46    49   -51    55   0.20000  1.0 3.0
   46    49    51    57   0.56750  1.0 1.0
   46    49    51    57  -0.07550 -1.0 2.0
   46    49    51    57   0.20000  1.0 3.0
   46    49    53    54  -0.11600  1.0 1.0
   46    49    53    54  -0.09450 -1.0 2.0
   46    49    53    54   0.21250  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    53   0.23400  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    53   0.23400  1.0 3.0
   49    51   -55    41   0.56750  1.0 1.0
   49    51   -55    41  -0.07550 -1.0 2.0
   49    51   -55    41   0.20000  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51    55    61   3.97050  1.0 1.0
   49    51    57    58   0.15000  1.0 3.0
   49    51    57    59   0.15000  1.0 3.0
   49    51    57    60   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.15000  1.0 3.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54  -0.11600  1.0 1.0
   51    49    53    54  -0.09450 -1.0 2.0
   51    49    53    54   0.21250  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    40   0.62750  1.0 1.0
   51    55    61    40  -0.30950 -1.0 2.0
   51    55    61    40   0.27300  1.0 3.0
   51    55    61    63   0.62750  1.0 1.0
   51    55    61    63  -0.30950 -1.0 2.0
   51    55    61    63   0.27300  1.0 3.0
   52    51    55    41   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   55    41    46    47   0.15000  1.0 3.0
   55    41    46    48   0.15000  1.0 3.0
   55    41   -46    49   0.56750  1.0 1.0
   55    41   -46    49  -0.07550 -1.0 2.0
   55    41   -46    49   0.20000  1.0 3.0
   55    51    57    58   0.15000  1.0 3.0
   55    51    57    59   0.15000  1.0 3.0
   55    51    57    60   0.15000  1.0 3.0
   55    61   -40    33   0.06250  1.0 1.0
   55    61   -40    33  -0.01100 -1.0 2.0
   55    61   -40    33   0.28050  1.0 3.0
   55    61    63    64   0.06250  1.0 1.0
   55    61    63    64  -0.01100 -1.0 2.0
   55    61    63    64   0.28050  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    40   0.23400  1.0 3.0
   56    55    61    63   0.23400  1.0 3.0
   61    63    64    65   0.37050  1.0 3.0
   61    63    64    66   0.06250  1.0 1.0
   61    63    64    66  -0.01100 -1.0 2.0
   61    63    64    66   0.28050  1.0 3.0
   61    63    64    80  -0.12700  1.0 1.0
   61    63    64    80  -1.16200 -1.0 2.0
   61    63    64    80   0.58800  1.0 3.0
   62    61    40    33   0.37050  1.0 3.0
   62    61    63    64   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -3.35100  1.0 1.0
   40    33    38    43  -0.37050 -1.0 2.0
   40    33    38    43   0.22400  1.0 3.0
   40    61    63    64  -0.53350  1.0 1.0
   40    61    63    64  -0.78350 -1.0 2.0
   40    61    63    64   0.33750  1.0 3.0
   63    61    40    33  -0.81800  1.0 1.0
   63    64    66    67   0.23400  1.0 3.0
   63    64    66    68   0.62750  1.0 1.0
   63    64    66    68  -0.30950 -1.0 2.0
   63    64    66    68   0.27300  1.0 3.0
   63    64    66    70   1.51850  1.0 1.0
   63    64    80    76  -0.70400  1.0 1.0
   63    64    80    76  -0.90350 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    72   0.56750  1.0 1.0
   64    66    68    72  -0.07550 -1.0 2.0
   64    66    68    72   0.20000  1.0 3.0
   64    66    68    74  -0.47750  1.0 1.0
   64    66    70    71   0.29150  1.0 1.0
   64    66    70    71  -0.28350 -1.0 2.0
   64    66    70    71   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    70   0.23400  1.0 3.0
   65    64    80    76   0.37050  1.0 3.0
   66    64    80    76   0.06250  1.0 1.0
   66    64    80    76  -0.01100 -1.0 2.0
   66    64    80    76   0.28050  1.0 3.0
   66    68    72    73   0.15000  1.0 3.0
   66    68   -72    76   0.56750  1.0 1.0
   66    68   -72    76  -0.07550 -1.0 2.0
   66    68   -72    76   0.20000  1.0 3.0
   66    68    72    78  -0.47750  1.0 1.0
   66    68    74    75   0.29150  1.0 1.0
   66    68    74    75  -0.28350 -1.0 2.0
   66    68    74    75   0.43600  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.15000  1.0 3.0
   67    66    68    74   0.23400  1.0 3.0
   67    66    70    71   0.19450  1.0 3.0
   68    66    70    71   0.29150  1.0 1.0
   68    66    70    71  -0.28350 -1.0 2.0
   68    66    70    71   0.43600  1.0 3.0
   68    72    76    77   0.15000  1.0 3.0
   68    72    76    80   0.62750  1.0 1.0
   68    72    76    80  -0.30950 -1.0 2.0
   68    72    76    80   0.27300  1.0 3.0
   68    72    76    81   0.56750  1.0 1.0
   68    72    76    81  -0.07550 -1.0 2.0
   68    72    76    81   0.20000  1.0 3.0
   68    72    78    79   0.29150  1.0 1.0
   68    72    78    79  -0.28350 -1.0 2.0
   68    72    78    79   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    78   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    76   -80    64   0.06250  1.0 1.0
   72    76   -80    64  -0.01100 -1.0 2.0
   72    76   -80    64   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    64   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    64    66    67   0.23400  1.0 3.0
   80    64   -66    68   0.62750  1.0 1.0
   80    64   -66    68  -0.30950 -1.0 2.0
   80    64   -66    68   0.27300  1.0 3.0
   80    64    66    70   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    64   0.06250  1.0 1.0
   81    76    80    64  -0.01100 -1.0 2.0
   81    76    80    64   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76  -0.47750  1.0 1.0
   74    68    72    78   3.77950  1.0 1.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    72  -0.47750  1.0 1.0
   70    66    68    74   3.77950  1.0 1.0
   57    51    55    41   0.56750  1.0 1.0
   57    51    55    41  -0.07550 -1.0 2.0
   57    51    55    41   0.20000  1.0 3.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    61   3.97050  1.0 1.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55   0.86500  1.0 1.0
   53    49    51    55  -0.17500 -1.0 2.0
   53    49    51    55   0.20800  1.0 3.0
   53    49    51    57   0.86500  1.0 1.0
   53    49    51    57  -0.17500 -1.0 2.0
   53    49    51    57   0.20800  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    46  -1.63150  1.0 1.0
   43    38    41    46  -0.43550 -1.0 2.0
   43    38    41    46   0.24500  1.0 3.0
   43    38    41    55  -1.63150  1.0 1.0
   43    38    41    55  -0.43550 -1.0 2.0
   43    38    41    55   0.24500  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
   37    30    35    36  10.50000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
END
