* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    242     462
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02076    80.70458    54.14618
    3     1 S   H    _H1_     3     1.02159    35.72237  -164.30157
    4     1 S   H    _H2_     4     1.02049    98.18661   -53.56284
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.85092    97.32907   161.84103
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C15    37     1.53808   107.60665   -79.99615
   38    33 S   CT   _C13    59     1.53296   108.98083   154.10320
   39    38 S   HC   _H15    60     1.09074   115.72194    92.15903
   40    38 S   HC   _H16    61     1.09628   113.05268   -35.50700
   41    33 S   OS   _O36    62     1.42867   107.84351    42.52545
   42    37 S   CM   _C16    38     1.35385   130.36852   104.18726
   43    42 S   HC   _H17    39     1.09591   113.67604  -179.16631
   44    37 S   CT   _C22    81     1.52716   114.58218   -75.91476
   45    44 S   HC   _H20    82     1.07939   108.75098   150.11283
   46    44 S   HC   _H21    83     1.08026   108.05385    29.83409
   47    42 S   CT   _C17    40     1.50720   139.12438     2.32010
   48    47 S   HC   _H4_    41     1.10112   104.64945   132.99166
   49    44 S   OH   _O39    84     1.40666   108.70586   -89.58948
   50    49 S   HO   _H22    85     0.97516   107.64811   180.00000
   51    47 S   CT   _C18    42     1.52532   125.13335     7.14496
   52    51 S   HC   _H5_    43     1.09308   110.88902   -48.10252
   53    51 S   CM   _C19    44     1.50098    99.21146  -156.26520
   54    51 S   CT   _C9_    51     1.54400   114.94612    79.13835
   55    54 S   HC   _H3_    52     1.09989   109.28419   177.41139
   56    53 S   CO4  _C21    45     1.47811   108.20343    26.64937
   57    56 S   O    _O37    46     1.21731   127.37626   167.53153
   58    53 S   CM   _C20    48     1.33505   130.46442  -152.73048
   59    58 S   HC   _H18    49     1.08364   120.71648    -0.70193
   60    58 S   HC   _H19    50     1.08445   120.66639   179.24437
   61    54 S   CT   _C10    53     1.53960   115.31367   -59.34330
   62    61 S   HC   _H13    54     1.09802   108.79457    64.72101
   63    61 S   HC   _H14    55     1.09954   108.92390   176.81297
   64    54 S   OS   _O34    67     1.43354   108.99456    60.93716
   65    47 S   OS   _O38    47     1.44922   107.13727  -115.54099
   66    61 S   CT   _C11    56     1.52852   115.22298   -59.90430
   67    64 S   CO4  _C8_    68     1.36039   115.51638   148.03702
   68    67 S   O    _O33    69     1.22267   126.04323    -0.06256
   69    66 S   CO4  _C12    57     1.50802   111.82956   161.69665
   70    69 S   O    _O35    58     1.22359   124.79832    60.70888
   71    66 S   CT   _C23    63     1.52257   113.21238   -72.24121
   72    71 S   HC   _H23    64     1.09051   110.05399    53.36162
   73    71 S   HC   _H24    65     1.09089   110.07235   -66.62768
   74    71 S   HC   _H25    66     1.09002   110.03683   173.36812
   75    67 S   CM   _C6_    70     1.49479   109.29990  -179.75451
   76    75 S   CM   _C5_    71     1.34536   115.87769  -120.28528
   77    76 S   HC   _H9_    72     1.08861   119.53645   178.69569
   78    75 S   CT   _C7_    77     1.49989   118.32218    58.23988
   79    78 S   HC   _H10    78     1.09379   113.00719   -88.35034
   80    78 S   HC   _H11    79     1.09520   110.50651    30.48131
   81    78 S   HC   _H12    80     1.09497   110.40765   150.56123
   82    76 S   CT   _C4_    73     1.49659   127.24479     0.02798
   83    82 S   HC   _H6_    74     1.09475   109.37923   -91.18776
   84    82 S   HC   _H7_    75     1.09118   113.68915   148.91329
   85    82 S   HC   _H8_    76     1.09385   109.82714    27.19369
  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  10   5   4   3
  17   2   1   1  17  10   5   4  13  13   5   5   3   2  12   6
   1   1  16   8  10  14   6   5   2   3   1   1  11   5   4   6
   1   6   9   3   5   1   3   2   1   1  10   9   5   4   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    66    69    38    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    61    66    69    70    38    39    40    41    71    44    45    46    49  
   35    36  
   36  
    0  
   42    43    47    48    51    65    66    69    38    39    40    41    44    45    46    49    50  
   39    40    41    71    44    42    61    66    69    70  
   40    41    66    69    70  
   41    66    69    70  
   71    72    73    74    44    42    54    61    62    63    66    69    70  
   43    47    48    51    52    53    56    65    54    44    45    46    49  
   47    48    51    65    44  
   45    46    49    50    47  
   46    49    50  
   49    50  
   48    51    52    53    56    57    65    58    54    55    61    64  
   51    52    53    56    65    54  
   50  
    0  
   52    53    56    57    65    58    59    60    54    55    61    62    63    66    64    67  
   53    56    65    58    54    55    61    64  
   56    57    65    58    59    60    54    55    61    64  
   55    61    62    63    66    69    71    64    67    68    75    56    58    65  
   61    62    63    66    64    67  
   57    65    58    59    60  
   65    58  
   59    60    65  
   60  
    0  
   62    63    66    69    70    71    72    73    74    64    67  
   63    66    69    71    64  
   66    69    71    64  
   67    68    75    76    78    66  
    0  
   69    70    71    72    73    74  
   68    75    76    77    82    78    79    80    81  
   75    76    78  
   70    71    72    73    74  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    41   320.000  1.410
   37    42   549.000  1.340
   37    44   317.000  1.510
   42    43   340.000  1.080
   42    47   317.000  1.510
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    65   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    65   214.000  1.327
   58    59   340.000  1.080
   58    60   340.000  1.080
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    69   317.000  1.522
   66    41   320.000  1.410
   66    71   268.000  1.529
   69    70   570.000  1.229
   69    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   64    67   214.000  1.327
   67    68   570.000  1.229
   67    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   320.000  1.410
   49    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    38    69    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    66    60.00000  109.50000
   37    42    43    35.00000  120.00000
   37    42    47    70.00000  124.00000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    49    90.00000  110.39200
   42    47    48    35.00000  109.50000
   42    47    51    70.00000  112.02700
   42    47    65    85.00000  110.90400
   47    42    43    35.00000  117.00000
   47    51    52    37.50000  110.70000
   47    51    53    70.00000  112.02700
   47    51    54    58.35000  112.70000
   47    65    56    83.00000  116.90000
   51    47    48    37.50000  110.70000
   51    53    56    65.00000  116.34900
   51    53    58    70.00000  124.00000
   51    54    55    37.50000  110.70000
   51    54    61    58.35000  112.70000
   51    54    64    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    65    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   65    47    48    35.00000  109.50000
   65    47    51    50.00000  109.50000
   65    56    57    83.00000  123.40000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.02700
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    66    58.35000  112.70000
   54    64    67    83.00000  116.90000
   61    54    55    37.50000  110.70000
   61    66    69    63.00000  111.10000
   61    66    41    50.00000  109.50000
   61    66    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    69    70    80.00000  120.40000
   66    69    38    70.00000  116.00000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    38    39    35.00000  109.50000
   69    38    40    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    69    70    80.00000  120.40000
   40    38    39    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    38    50.00000  109.50000
   41    66    69    90.00000  108.74100
   71    66    69    63.00000  111.10000
   71    66    41    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   64    54    55    35.00000  109.50000
   64    54    61    50.00000  109.50000
   64    67    68    83.00000  123.40000
   64    67    75    90.00000  111.29400
   67    75    76    65.00000  118.96000
   67    75    78    65.00000  116.34900
   75    67    68    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    49    50    55.00000  108.50000
   46    44    45    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    35.00000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    38    69   0.56750  1.0 1.0
   29    33    38    69  -0.07550 -1.0 2.0
   29    33    38    69   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    41    66   0.14700  1.0 1.0
   29    33    41    66  -1.16150 -1.0 2.0
   29    33    41    66   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    49   0.18000  1.0 1.0
   33    37    44    49   0.16450 -1.0 2.0
   33    37    44    49   0.04450  1.0 3.0
   37    33    38    69  -0.98800  1.0 1.0
   37    33    38    69   0.48800 -1.0 2.0
   37    33    38    69   0.76800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    41    66  -0.77900  1.0 1.0
   37    33    41    66  -0.36900 -1.0 2.0
   37    33    41    66   0.40400  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    51   0.09850  1.0 1.0
   37    42    47    51   0.15250 -1.0 2.0
   37    42    47    51  -0.50650  1.0 3.0
   37    42    47    65   0.39000  1.0 1.0
   37    42    47    65  -0.05800 -1.0 2.0
   37    42    47    65  -0.55150  1.0 3.0
   37    44    49    50  -0.07800  1.0 1.0
   37    44    49    50  -0.21500 -1.0 2.0
   37    44    49    50  -0.03150  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    49   0.67800  1.0 1.0
   42    37    44    49   0.47050 -1.0 2.0
   42    37    44    49  -0.62500  1.0 3.0
   42    47    51    52   0.15000  1.0 3.0
   42    47    51    53   0.31000  1.0 1.0
   42    47    51    53   0.14700 -1.0 2.0
   42    47    51    53   0.07550  1.0 3.0
   42    47    51    54   0.34400  1.0 1.0
   42    47    51    54   0.09450 -1.0 2.0
   42    47    51    54   0.11100  1.0 3.0
   42    47    65    56  -0.82050  1.0 1.0
   42    47    65    56   0.00600 -1.0 2.0
   42    47    65    56   0.04400  1.0 3.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    65   0.00000  1.0 1.0
   47    51   -53    56   0.09700  1.0 1.0
   47    51   -53    56   0.15600 -1.0 2.0
   47    51   -53    56  -0.50800  1.0 3.0
   47    51    53    58   0.09850  1.0 1.0
   47    51    53    58   0.15250 -1.0 2.0
   47    51    53    58  -0.50650  1.0 3.0
   47    51    54    55   0.15000  1.0 3.0
   47    51    54    61   0.56750  1.0 1.0
   47    51    54    61  -0.07550 -1.0 2.0
   47    51    54    61   0.20000  1.0 3.0
   47    51    54    64   0.62750  1.0 1.0
   47    51    54    64  -0.30950 -1.0 2.0
   47    51    54    64   0.27300  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   48    47    65    56   0.08050  1.0 3.0
   51    47   -65    56  -0.25900  1.0 1.0
   51    47   -65    56  -0.47000 -1.0 2.0
   51    47   -65    56   0.11750  1.0 3.0
   51    53    56    57  -0.64400  1.0 1.0
   51    53    56    57   0.26850 -1.0 2.0
   51    53   -56    65  -0.15000  1.0 1.0
   51    53   -56    65   0.89550 -1.0 2.0
   51    53   -56    65  -0.06900  1.0 3.0
   51    53    58    59   7.00000 -1.0 2.0
   51    53    58    60   7.00000 -1.0 2.0
   51    54    61    62   0.15000  1.0 3.0
   51    54    61    63   0.15000  1.0 3.0
   51    54    61    66   0.56750  1.0 1.0
   51    54    61    66  -0.07550 -1.0 2.0
   51    54    61    66   0.20000  1.0 3.0
   51    54    64    67  -0.25900  1.0 1.0
   51    54    64    67  -0.47000 -1.0 2.0
   51    54    64    67   0.11750  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    61   0.15000  1.0 3.0
   52    51    54    64   0.23400  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    61   0.34400  1.0 1.0
   53    51    54    61   0.09450 -1.0 2.0
   53    51    54    61   0.11100  1.0 3.0
   53    51    54    64   0.61850  1.0 1.0
   53    51    54    64  -0.22750 -1.0 2.0
   53    51    54    64   0.15300  1.0 3.0
   53    56   -65    47   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   57    56    65    47   3.00000 -1.0 2.0
   65    47    51    52   0.23400  1.0 3.0
   65    47   -51    53   0.61850  1.0 1.0
   65    47   -51    53  -0.22750 -1.0 2.0
   65    47   -51    53   0.15300  1.0 3.0
   65    47    51    54   0.62750  1.0 1.0
   65    47    51    54  -0.30950 -1.0 2.0
   65    47    51    54   0.27300  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    65  -0.56150  1.0 1.0
   58    53    56    65   2.19150 -1.0 2.0
   54    51    53    56   0.09700  1.0 1.0
   54    51    53    56   0.15600 -1.0 2.0
   54    51    53    56  -0.50800  1.0 3.0
   54    51    53    58   0.09850  1.0 1.0
   54    51    53    58   0.15250 -1.0 2.0
   54    51    53    58  -0.50650  1.0 3.0
   54    61    66    69  -0.95700  1.0 1.0
   54    61    66    69  -0.18200 -1.0 2.0
   54    61    66    69   0.29450  1.0 3.0
   54    61    66    41   0.62750  1.0 1.0
   54    61    66    41  -0.30950 -1.0 2.0
   54    61    66    41   0.27300  1.0 3.0
   54    61    66    71   0.56750  1.0 1.0
   54    61    66    71  -0.07550 -1.0 2.0
   54    61    66    71   0.20000  1.0 3.0
   54    64    67    68   3.00000 -1.0 2.0
   54    64    67    75   2.00000 -1.0 2.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    66   0.15000  1.0 3.0
   55    54    64    67   0.08050  1.0 3.0
   61    54    64    67  -0.25900  1.0 1.0
   61    54    64    67  -0.47000 -1.0 2.0
   61    54    64    67   0.11750  1.0 3.0
   61    66    69    70   0.30150 -1.0 2.0
   61    66    69    38   0.60050  1.0 1.0
   61    66    69    38   0.05600 -1.0 2.0
   61    66    69    38   0.26150  1.0 3.0
   61    66    41    33   0.06250  1.0 1.0
   61    66    41    33  -0.01100 -1.0 2.0
   61    66    41    33   0.28050  1.0 3.0
   61    66    71    72   0.15000  1.0 3.0
   61    66    71    73   0.15000  1.0 3.0
   61    66    71    74   0.15000  1.0 3.0
   62    61    66    69  -0.11250  1.0 3.0
   62    61    66    41   0.23400  1.0 3.0
   62    61    66    71   0.15000  1.0 3.0
   63    61    66    69  -0.11250  1.0 3.0
   63    61    66    41   0.23400  1.0 3.0
   63    61    66    71   0.15000  1.0 3.0
   66    69   -38    33   0.60050  1.0 1.0
   66    69   -38    33   0.05600 -1.0 2.0
   66    69   -38    33   0.26150  1.0 3.0
   66    69    38    39   0.00000  1.0 1.0
   66    69    38    40   0.00000  1.0 1.0
   69    66   -41    33  -1.11000  1.0 1.0
   69    66   -41    33   0.50250 -1.0 2.0
   69    66   -41    33   0.47450  1.0 3.0
   69    66    71    72  -0.11250  1.0 3.0
   69    66    71    73  -0.11250  1.0 3.0
   69    66    71    74  -0.11250  1.0 3.0
   70    69    38    33   0.30150 -1.0 2.0
   70    69    38    39   0.00000  1.0 1.0
   70    69    38    40   0.00000  1.0 1.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33   -41    66   0.06250  1.0 1.0
   38    33   -41    66  -0.01100 -1.0 2.0
   38    33   -41    66   0.28050  1.0 3.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    37    44   0.09700  1.0 1.0
   41    33    37    44   0.15600 -1.0 2.0
   41    33    37    44  -0.50800  1.0 3.0
   41    33   -38    69  -0.09450  1.0 1.0
   41    33   -38    69  -1.12950 -1.0 2.0
   41    33   -38    69   0.54000  1.0 3.0
   41    33    38    39   0.23400  1.0 3.0
   41    33    38    40   0.23400  1.0 3.0
   41    66    69    70   0.30150 -1.0 2.0
   41    66   -69    38   0.55300  1.0 1.0
   41    66   -69    38   1.25850 -1.0 2.0
   41    66   -69    38  -0.23600  1.0 3.0
   41    66    71    72   0.23400  1.0 3.0
   41    66    71    73   0.23400  1.0 3.0
   41    66    71    74   0.23400  1.0 3.0
   71    66    69    70   0.30150 -1.0 2.0
   71    66    69    38   0.60050  1.0 1.0
   71    66    69    38   0.05600 -1.0 2.0
   71    66    69    38   0.26150  1.0 3.0
   71    66    41    33   0.06250  1.0 1.0
   71    66    41    33  -0.01100 -1.0 2.0
   71    66    41    33   0.28050  1.0 3.0
   64    54    61    62   0.23400  1.0 3.0
   64    54    61    63   0.23400  1.0 3.0
   64    54    61    66   0.62750  1.0 1.0
   64    54    61    66  -0.30950 -1.0 2.0
   64    54    61    66   0.27300  1.0 3.0
   64    67    75    76  -0.56150  1.0 1.0
   64    67    75    76   2.19150 -1.0 2.0
   64    67    75    78  -0.15000  1.0 1.0
   64    67    75    78   0.89550 -1.0 2.0
   64    67    75    78  -0.06900  1.0 3.0
   67    75    76    77   7.00000 -1.0 2.0
   67    75    76    82   7.00000 -1.0 2.0
   67    75    78    79   0.15000  1.0 3.0
   67    75    78    80   0.15000  1.0 3.0
   67    75    78    81   0.15000  1.0 3.0
   68    67    75    76   1.00000 -1.0 2.0
   68    67    75    78  -0.64400  1.0 1.0
   68    67    75    78   0.26850 -1.0 2.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    84   0.00000  1.0 1.0
   75    76    82    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   45    44    49    50   0.19450  1.0 3.0
   46    44    49    50   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   51    56    53    58   1.10000 -1.0 2.0
   53    65    56    57  10.50000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   66    38    69    70  10.50000 -1.0 2.0
   64    75    67    68  10.50000 -1.0 2.0
   67    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
