* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    140    213     413
    1     0 S   NP   _N1_     1    28.58680    93.84534   -24.13742
    2     1 S   H    _HN1     2     1.02827    23.53960  -176.97269
    3     1 S   H    _H1_     3     1.02792   110.53273   -89.18885
    4     1 S   H    _H2_     4     1.02948    84.39974    18.35575
    5     1 S   CT   _CA1     5     1.50119   126.52800   129.68155
    6     5 S   HC   _HA1     6     1.09575   105.17579    79.25867
    7     5 S   CO3  _C1_     7     1.53767   112.46610   -40.95495
    8     7 S   O2Z  _O11     8     1.26373   115.00725   -42.73878
    9     7 S   O2Z  _O12     9     1.26237   114.93747   136.33315
   10     5 S   CT   _CB1    10     1.53068   107.41604  -162.78447
   11    10 S   HC   HB11    11     1.09838   109.31901   -49.72902
   12    10 S   HC   HB12    12     1.09811   110.47565    66.86072
   13    10 S   CT   _CG1    13     1.53014   112.63580  -170.69245
   14    13 S   HC   HG11    14     1.09575   110.68890   -66.94861
   15    13 S   HC   HG12    15     1.09672   109.73132    52.29621
   16    13 S   C    _CD1    16     1.51810   112.09089   172.74034
   17    16 S   O    _OE1    17     1.22748   123.22295    10.07661
   18    16 S   N    _N2_    18     1.38659   111.77451  -169.90694
   19    18 S   H    _HN2    19     1.01577   118.96408     1.22157
   20    18 S   CT1  _CA2    20     1.46205   123.36426   176.61245
   21    20 S   HC   _HA2    21     1.09739   109.30212     6.14280
   22    20 S   C    _C2_    22     1.53650   108.76124  -109.33852
   23    22 S   O    _O2_    23     1.23075   122.26338  -148.41621
   24    20 S   CT   _CB2    32     1.53314   111.68819   128.14281
   25    24 S   HC   HB21    33     1.09589   110.15920    56.57392
   26    24 S   HC   HB22    34     1.09465   109.86694   175.59593
   27    22 S   N    _N3_    24     1.38317   113.81774    39.05425
   28    27 S   H    _HN3    25     1.01555   119.61432    -3.18918
   29    24 S   S    _SG2    35     1.82792   111.57821   -64.35300
   30    27 S   CT   _CA3    26     1.45289   123.27306   177.19628
   31    30 S   HC   HA31    27     1.09547   107.50316   -64.98057
   32    30 S   HC   HA32    28     1.09555   108.00776    51.48123
   33    29 S   CT   _C17    36     1.84249    99.47357   176.57663
   34    33 S   HC   _H8_    37     1.09641   105.23237   -50.68775
   35    30 S   CO3  _C3_    29     1.52974   114.03464   173.48094
   36    35 S   O2Z  _O31    30     1.26383   116.06277    -0.68528
   37    35 S   O2Z  _O32    31     1.26422   114.42524   179.37693
   38    33 S   CA   _C7_    38     1.51988   112.54479    67.96584
   39    33 S   CM   _C18    75     1.51205   108.39596  -167.48883
   40    39 S   HC   _H21    76     1.08965   116.98351   -58.59615
   41    38 S   CA   _C8_    39     1.40046   119.45767  -121.96545
   42    41 S   HA   _H13    40     1.08790   120.31155    -0.22381
   43    39 S   CMA  _C19    77     1.34833   125.73090   121.49154
   44    43 S   OM   _O40    78     1.25870   133.08140     0.13122
   45    43 S   HC   _H22    79     1.09239   111.38276  -179.98022
   46    41 S   CA   _C9_    41     1.39688   120.94370   179.81337
   47    46 S   HA   _H14    42     1.08518   117.46234   179.81025
   48    46 S   CA   _C10    43     1.39671   120.41118     0.16432
   49    48 S   CA   _C5_    44     1.40715   119.43192     0.48618
   50    48 S   OS   _O34    52     1.37202   124.92640  -180.00000
   51    38 S   CA   _C6_    45     1.40562   122.09428    58.67445
   52    51 S   HA   _H12    46     1.08613   118.25590     0.09691
   53    49 S   OS   _O33    47     1.37436   115.73787   179.56614
   54    50 S   CO   _C11    53     1.43253   118.88199     3.59831
   55    54 S   HC   _H3_    54     1.09730   109.71031    49.87162
   56    53 S   CT   _C4_    48     1.42213   117.35270   179.89913
   57    56 S   HC   _H9_    49     1.09430   107.72356  -179.94065
   58    56 S   HC   _H10    50     1.09495   111.14863    62.37553
   59    56 S   HC   _H11    51     1.09496   111.15271   -62.25495
   60    54 S   CT   _C12    55     1.53858   108.11919   166.88083
   61    60 S   HC   _H4_    56     1.09637   110.97859   -49.84605
   62    60 S   CT   _C13    57     1.53215   110.16110    70.98666
   63    62 S   HC   _H5_    58     1.09733   108.54922   -67.70995
   64    60 S   OH   _O39    73     1.42900   109.60845  -167.90494
   65    64 S   HO   _H20    74     0.97223   107.71225    60.93976
   66    62 S   CT   _C14    59     1.53198   111.74485    52.27289
   67    66 S   HC   _H6_    60     1.09580   109.83135  -174.40599
   68    62 S   OH   _O38    71     1.42503   110.12118   175.41136
   69    68 S   HO   _H19    72     0.97255   107.58673   176.72141
   70    66 S   CT   _C15    61     1.53405   109.63819   -52.72115
   71    70 S   HC   _H7_    62     1.09738   110.16159   -64.15773
   72    66 S   OH   _O37    69     1.42838   110.79683    68.35638
   73    72 S   HO   _H18    70     0.97344   107.43345    34.43125
   74    54 S   OS   _O35    63     1.43529   113.68975   -70.28655
   75    70 S   CT   _C16    64     1.52888   111.99717   174.54404
   76    75 S   HC   _H15    65     1.09436   111.05970    49.67038
   77    75 S   HC   _H16    66     1.09484   111.46048   -72.92961
   78    75 S   OH   _O36    67     1.42528   109.00241   168.39539
   79    78 S   HO   _H17    68     0.97227   107.04683   178.13093
  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
  13   6   2   1   1  12   6   3   8   4   2   1   1   7   3  10
   9  10   3   1   4  13   6   3   2   1   1  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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    51    52    39    40    43    44    45  
   38    41    51    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    49    51    52    53    39    40    43  
   40    43    44    45    41    51  
   43    44    45  
   42    46    47    48    49    51    52    50  
   46    47    48    51  
   44    45  
   45  
    0  
   47    48    49    51    53    50    54  
   48    49    50  
   49    51    52    53    56    50    54    55    60    74  
   51    52    53    56    57    58    59    50    54  
   54    55    60    61    62    70    74    64    51    53  
   52    53    56  
   53  
   56    57    58    59  
   55    60    61    62    63    66    70    71    74    75    68    64    65  
   60    61    62    70    74    64  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    66    67    70    74    72    68    69    64    65  
   62    63    66    74    68    64    65  
   63    66    67    70    71    74    75    72    73    68    69    64    65  
   66    67    70    72    68    69    64  
   65    66    68    74  
    0  
   67    70    71    74    75    76    77    78    72    73    68    69  
   70    71    74    75    72    73    68  
   69    70    72  
    0  
   71    74    75    76    77    78    79    72    73  
   74    75    76    77    78    72  
   73    74    75  
    0  
   75    76    77    78  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   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
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    39   317.000  1.510
   38    41   469.000  1.400
   38    51   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    50   450.000  1.364
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   50    54   320.000  1.380
   54    55   340.000  1.090
   54    60   250.000  1.527
   54    74   320.000  1.380
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    68   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    74   320.000  1.410
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.410
   78    79   553.000  0.945
   72    73   553.000  0.945
   68    69   553.000  0.945
   64    65   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   335.000  1.111
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    51    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    51    49    63.00000  120.00000
   38    51    52    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    48    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    49    53    70.00000  120.00000
   48    50    54   100.00000  112.36700
   49    51    52    35.00000  120.00000
   49    53    56    75.00000  111.00000
   51    38    41    63.00000  120.00000
   53    49    51    70.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   50    48    49    70.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    60    90.00000  108.56700
   50    54    74    92.60000  111.55000
   54    60    61    45.00000  108.72000
   54    60    62    75.00000  109.43000
   54    60    64    90.00000  111.58700
   54    74    70    60.00000  109.50000
   60    54    55    45.00000  112.01100
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    68    50.00000  109.50000
   60    64    65    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    66    72    50.00000  109.50000
   62    68    69    55.00000  108.50000
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    50.00000  109.50000
   66    70    75    58.35000  112.70000
   66    72    73    55.00000  108.50000
   70    66    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    50.00000  109.50000
   74    54    55    35.00000  109.50000
   74    54    60    90.00000  108.56700
   74    70    71    35.00000  109.50000
   75    70    71    37.50000  110.70000
   75    70    74    50.00000  109.50000
   75    78    79    55.00000  108.50000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   68    62    63    35.00000  109.50000
   68    62    66    50.00000  109.50000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    45.00000  105.30000
   43    39    40    40.00000  120.50800
   45    43    44    50.00000  124.16400
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51  -0.16000  1.0 1.0
   29    33    38    51  -0.03200 -1.0 2.0
   29    33    38    51   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    51    49   3.62500 -1.0 2.0
   33    38    51    52   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    51    49   3.62500 -1.0 2.0
   41    38    51    52   3.62500 -1.0 2.0
   41    46   -48    49   3.62500 -1.0 2.0
   41    46    48    50   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    50    54   1.63200 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -51    38   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    53    56   1.63200 -1.0 2.0
   48    50    54    55   0.08050  1.0 3.0
   48    50    54    60  -0.32850  1.0 1.0
   48    50    54    60  -0.35800 -1.0 2.0
   48    50    54    60   0.33950  1.0 3.0
   48    50    54    74  -0.25600  1.0 1.0
   48    50    54    74  -0.40050 -1.0 2.0
   48    50    54    74   0.34700  1.0 3.0
   49    48    50    54   1.63200 -1.0 2.0
   49    53    56    57   0.08050  1.0 3.0
   49    53    56    58   0.08050  1.0 3.0
   49    53    56    59   0.08050  1.0 3.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    46   3.62500 -1.0 2.0
   51    49    53    56   1.63200 -1.0 2.0
   53    49    51    38   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   50    48    49    51   3.62500 -1.0 2.0
   50    48    49    53   3.62500 -1.0 2.0
   50    54    60    61   0.23400  1.0 3.0
   50    54    60    62   0.62750  1.0 1.0
   50    54    60    62  -0.30950 -1.0 2.0
   50    54    60    62   0.27300  1.0 3.0
   50    54    60    64   3.69350  1.0 1.0
   50    54    60    64  -1.82950 -1.0 2.0
   50    54    74    70  -0.81800  1.0 1.0
   54    60    62    63   0.15000  1.0 3.0
   54    60    62    66   3.97050  1.0 1.0
   54    60    62    68   0.86500  1.0 1.0
   54    60    62    68  -0.17500 -1.0 2.0
   54    60    62    68   0.20800  1.0 3.0
   54    60    64    65  -0.11600  1.0 1.0
   54    60    64    65  -0.09450 -1.0 2.0
   54    60    64    65   0.21250  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    64   0.23400  1.0 3.0
   55    54    74    70   0.37050  1.0 3.0
   60    54    74    70   0.06250  1.0 1.0
   60    54    74    70  -0.01100 -1.0 2.0
   60    54    74    70   0.28050  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62   -66    70   0.56750  1.0 1.0
   60    62   -66    70  -0.07550 -1.0 2.0
   60    62   -66    70   0.20000  1.0 3.0
   60    62    66    72   0.86500  1.0 1.0
   60    62    66    72  -0.17500 -1.0 2.0
   60    62    66    72   0.20800  1.0 3.0
   60    62    68    69  -0.11600  1.0 1.0
   60    62    68    69  -0.09450 -1.0 2.0
   60    62    68    69   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.23400  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65  -0.11600  1.0 1.0
   62    60    64    65  -0.09450 -1.0 2.0
   62    60    64    65   0.21250  1.0 3.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    74   0.62750  1.0 1.0
   62    66    70    74  -0.30950 -1.0 2.0
   62    66    70    74   0.27300  1.0 3.0
   62    66    70    75   0.56750  1.0 1.0
   62    66    70    75  -0.07550 -1.0 2.0
   62    66    70    75   0.20000  1.0 3.0
   62    66    72    73  -0.11600  1.0 1.0
   62    66    72    73  -0.09450 -1.0 2.0
   62    66    72    73   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   66    62    68    69  -0.11600  1.0 1.0
   66    62    68    69  -0.09450 -1.0 2.0
   66    62    68    69   0.21250  1.0 3.0
   66    70   -74    54   0.06250  1.0 1.0
   66    70   -74    54  -0.01100 -1.0 2.0
   66    70   -74    54   0.28050  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.86500  1.0 1.0
   66    70    75    78  -0.17500 -1.0 2.0
   66    70    75    78   0.20800  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73  -0.11600  1.0 1.0
   70    66    72    73  -0.09450 -1.0 2.0
   70    66    72    73   0.21250  1.0 3.0
   70    75    78    79  -0.11600  1.0 1.0
   70    75    78    79  -0.09450 -1.0 2.0
   70    75    78    79   0.21250  1.0 3.0
   71    70    74    54   0.37050  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.23400  1.0 3.0
   74    54    60    61   0.23400  1.0 3.0
   74    54   -60    62   0.62750  1.0 1.0
   74    54   -60    62  -0.30950 -1.0 2.0
   74    54   -60    62   0.27300  1.0 3.0
   74    54    60    64   3.69350  1.0 1.0
   74    54    60    64  -1.82950 -1.0 2.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   3.69350  1.0 1.0
   74    70    75    78  -1.82950 -1.0 2.0
   75    70    74    54   0.06250  1.0 1.0
   75    70    74    54  -0.01100 -1.0 2.0
   75    70    74    54   0.28050  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79   0.19450  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   3.69350  1.0 1.0
   72    66    70    74  -1.82950 -1.0 2.0
   72    66    70    75   0.86500  1.0 1.0
   72    66    70    75  -0.17500 -1.0 2.0
   72    66    70    75   0.20800  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    70   0.86500  1.0 1.0
   68    62    66    70  -0.17500 -1.0 2.0
   68    62    66    70   0.20800  1.0 3.0
   68    62    66    72   3.75450  1.0 1.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66   0.86500  1.0 1.0
   64    60    62    66  -0.17500 -1.0 2.0
   64    60    62    66   0.20800  1.0 3.0
   64    60    62    68   3.75450  1.0 1.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    51   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   41    51    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   48    47    46    41   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   51    53    49    48   4.00000 -1.0 2.0
   49    52    51    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
