* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    256     487
    1     0 S   NP   _N1_     1    29.33936    90.01795   -21.46770
    2     1 S   H    _HN1     2     1.02937   111.50521     5.03014
    3     1 S   H    _H1_     3     1.02838    20.13164    85.84490
    4     1 S   H    _H2_     4     1.02796    87.99725  -103.87746
    5     1 S   CT   _CA1     5     1.50217   123.61444   140.57909
    6     5 S   HC   _HA1     6     1.09560   105.08880    42.10569
    7     5 S   CO3  _C1_     7     1.53881   112.56766   -77.92887
    8     7 S   O2Z  _O11     8     1.26502   115.23942   -34.74107
    9     7 S   O2Z  _O12     9     1.26223   115.13323   144.30605
   10     5 S   CT   _CB1    10     1.53131   107.38147   160.23639
   11    10 S   HC   HB11    11     1.09828   109.63450   -44.77079
   12    10 S   HC   HB12    12     1.09826   110.19221    71.86919
   13    10 S   CT   _CG1    13     1.53079   112.84992  -165.68344
   14    13 S   HC   HG11    14     1.09590   110.48247   -62.36606
   15    13 S   HC   HG12    15     1.09635   110.00995    56.95205
   16    13 S   C    _CD1    16     1.51921   112.20104   177.52535
   17    16 S   O    _OE1    17     1.22734   123.19115     1.07137
   18    16 S   N    _N2_    18     1.38652   111.71917  -179.65057
   19    18 S   H    _HN2    19     1.01556   119.00897     3.85046
   20    18 S   CT1  _CA2    20     1.46407   123.41621  -173.83735
   21    20 S   HC   _HA2    21     1.09728   109.29148   -12.27748
   22    20 S   C    _C2_    22     1.53339   108.70880  -128.24763
   23    22 S   O    _O2_    23     1.23020   122.17208  -147.41346
   24    20 S   CT   _CB2    32     1.53727   111.16722   109.47153
   25    24 S   HC   HB21    33     1.09457   109.30672    59.21674
   26    24 S   HC   HB22    34     1.09502   110.78733   177.57279
   27    22 S   N    _N3_    24     1.38485   113.39037    40.00758
   28    27 S   H    _HN3    25     1.01536   118.83318    -0.85752
   29    24 S   S    _SG2    35     1.82737   110.98511   -62.85758
   30    27 S   CT   _CA3    26     1.45457   123.60965   175.14082
   31    30 S   HC   HA31    27     1.09512   109.41485    20.60129
   32    30 S   HC   HA32    28     1.09500   107.07647   137.63297
   33    29 S   CT   _C20    36     1.84067   101.18862   149.52075
   34    33 S   HC   _H8_    37     1.09460   106.46284    -7.32365
   35    30 S   CO3  _C3_    29     1.52915   112.99782  -102.99965
   36    35 S   O2Z  _O31    30     1.26410   115.36038   -45.29632
   37    35 S   O2Z  _O32    31     1.26347   115.01010   135.60557
   38    33 S   CM   _C7_    38     1.54224   112.29067  -125.36873
   39    33 S   CT   _C21    83     1.52846   110.07524   107.72938
   40    39 S   HC   _H26    84     1.09492   112.75657    59.84001
   41    39 S   HC   _H27    85     1.09612   110.87216   -61.09689
   42    39 S   HC   _H28    86     1.09606   110.51548  -179.81443
   43    38 S   CMA  _C8_    39     1.37221   125.40649   -54.51319
   44    43 S   OM   _O38    40     1.26922   125.35217    -2.65727
   45    38 S   CT   _C6_    70     1.53162   112.97214   131.42015
   46    45 S   HC   _H12    71     1.09841   109.49437    24.41175
   47    45 S   HC   _H13    72     1.09675   107.10927   135.76409
   48    43 S   OS   _O33    41     1.43053   112.53908   178.57907
   49    48 S   CT   _C9_    42     1.43037   113.09224  -133.00731
   50    49 S   HC   _H4_    43     1.10222   109.48918    32.73366
   51    49 S   CT   _C12    44     1.53707   113.62638   150.86461
   52    51 S   HC   _H7_    45     1.09563   110.71143   -85.22910
   53    49 S   CT   _C10    57     1.52727   114.70561   -90.49613
   54    53 S   HC   _H5_    58     1.09262   113.35450    70.41565
   55    51 S   CM   _C13    46     1.50933   121.98972    45.53475
   56    53 S   OH   _O37    59     1.42374   111.52496   -51.36943
   57    56 S   HO   _H25    60     0.97237   107.49536   175.56191
   58    55 S   CM   _C14    47     1.33960   111.17893   122.49832
   59    58 S   HC   _H16    48     1.08064   124.85702   177.38296
   60    55 S   CT   _C16    61     1.48755   122.94403   -62.19862
   61    60 S   HC   _H19    62     1.09569   109.87165    77.38149
   62    60 S   HC   _H20    63     1.09557   111.43383  -161.33241
   63    58 S   CT   _C15    49     1.48787   111.67971    -1.60718
   64    63 S   HC   _H17    50     1.09416   111.37242   110.98187
   65    63 S   HC   _H18    51     1.09299   112.25924  -125.20381
   66    60 S   OS   _O34    64     1.43053   107.09743   -42.15486
   67    51 S   NP   _N4_    52     1.55185   102.30121   161.44695
   68    67 S   H    _H6_    53     1.03375   108.62223   103.23062
   69    66 S   CO4  _C17    65     1.36107   116.26703   167.78337
   70    69 S   O    _O35    66     1.22373   125.69524    16.98052
   71    67 S   CT   _C11    54     1.52262   107.67706   -14.63507
   72    71 S   HC   _H14    55     1.09296   109.59644  -135.89373
   73    71 S   HC   _H15    56     1.09481   105.78679   105.24651
   74    69 S   CT   _C18    67     1.53099   109.26094  -160.18944
   75    74 S   CT   _C5_    68     1.56414   109.63685    56.01022
   76    75 S   HC   _H3_    69     1.09783   108.49659   -60.32535
   77    74 S   CT   _C19    77     1.53139   108.51655   -68.52224
   78    77 S   HC   _H21    78     1.09498   111.57508  -165.64223
   79    77 S   HC   _H22    79     1.09506   111.75835    72.08299
   80    77 S   HC   _H23    80     1.09683   110.67803   -47.83401
   81    74 S   OH   _O36    81     1.42624   108.01057   174.59644
   82    81 S   HO   _H24    82     0.97291   107.99960    59.75684
   83    75 S   CT   _C4_    73     1.53233   111.84768  -177.57126
   84    83 S   HC   _H9_    74     1.09452   111.74939   -64.61923
   85    83 S   HC   _H10    75     1.09039   110.35640   174.73850
   86    83 S   HC   _H11    76     1.09377   111.70773    56.94157
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  16   8  19   8  10   6  13   5   1  11   5   8   3   2   7   4
   3   6   4   3  11   4   2   1   1  12  11   6   6   3   2   1
   2   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    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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    75    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    74    75    76    45    46    47    83    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    53    75    45    46    47  
   48    49    45  
   46    47    83    84    85    86    77    81    48    69    74    75    76  
   47    83    74    75    76  
   83    74    75    76  
   49    50    51    52    55    67    71    53    54    56  
   50    51    52    55    58    63    67    68    71    72    73    53    54    56    57    60  
   51    52    55    67    71    53    54    56  
   52    55    58    59    63    64    65    67    68    71    72    73    53    54    56    60    61    62    66  
   55    58    63    67    68    71    53    60  
   54    56    57    55    63    67    68    71    72    73  
   56    57    67    71    72    73  
   58    59    63    64    65    67    68    71    60    61    62    66    69  
   57    67    71    72    73  
   71  
   59    63    64    65    67    68    71    60    61    62    66  
   63    64    65    67    60  
   61    62    66    69    70    74    63    67  
   62    66    69  
   66    69  
   64    65    67    68    71    72    73  
   65    67    68    71  
   67    68    71  
   69    70    74    75    77    81  
   68    71    72    73  
   71    72    73  
   70    74    75    76    83    77    78    79    80    81    82  
   74    75    77    81  
   72    73  
   73  
    0  
   75    76    83    84    85    86    77    78    79    80    81    82  
   76    83    84    85    86    77    78    79    80    81    82  
   83    84    85    86    77    81  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    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   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    67   367.000  1.471
   55    58   549.000  1.340
   55    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   367.000  1.471
   67    68   434.000  1.010
   67    71   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    53   268.000  1.529
   53    54   340.000  1.090
   53    56   320.000  1.410
   56    57   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    69   214.000  1.327
   69    70   570.000  1.229
   69    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    81   320.000  1.410
   75    76   340.000  1.090
   75    45   268.000  1.529
   75    83   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    75    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    53    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    55    70.00000  112.02700
   49    51    67    80.00000  111.20000
   49    53    71    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    56    50.00000  109.50000
   51    49    50    37.50000  110.70000
   51    55    58    70.00000  124.00000
   51    55    60    65.00000  117.92700
   51    67    63    75.00000  113.01200
   51    67    68    35.00000  109.50000
   51    67    71    75.00000  113.01200
   55    51    52    35.00000  109.50000
   55    58    59    35.00000  120.00000
   55    58    63    70.00000  124.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.06800
   63    58    59    35.00000  117.00000
   63    67    68    35.00000  109.50000
   63    67    71    75.00000  113.01200
   65    63    64    33.00000  107.80000
   67    51    52    35.00000  109.50000
   67    51    55    75.00000  110.06800
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    53    80.00000  111.20000
   71    67    68    35.00000  109.50000
   71    53    54    37.50000  110.70000
   71    53    56    50.00000  109.50000
   73    71    72    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    71    72    37.50000  110.70000
   53    71    73    37.50000  110.70000
   53    56    57    55.00000  108.50000
   56    53    54    35.00000  109.50000
   60    55    58    70.00000  124.00000
   60    66    69    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    69    70    83.00000  123.40000
   66    69    74    81.00000  111.40000
   69    74    75    63.00000  111.10000
   69    74    77    63.00000  111.10000
   69    74    81    90.00000  109.61100
   74    69    70    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    45    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    55.00000  108.50000
   75    45    46    37.50000  110.70000
   75    45    47    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    75    76    37.50000  110.70000
   47    45    46    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    45    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    50.00000  109.50000
   81    74    77    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    75   0.46850  1.0 1.0
   33    38    45    75   0.08550 -1.0 2.0
   33    38    45    75   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    75   0.09850  1.0 1.0
   43    38    45    75   0.15250 -1.0 2.0
   43    38    45    75  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    53  -0.46850  1.0 1.0
   43    48    49    53   0.09300 -1.0 2.0
   43    48    49    53  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    55   0.61850  1.0 1.0
   48    49    51    55  -0.22750 -1.0 2.0
   48    49    51    55   0.15300  1.0 3.0
   48    49    51    67   1.69300  1.0 1.0
   48    49    51    67  -0.48450 -1.0 2.0
   48    49    53    71   0.62750  1.0 1.0
   48    49    53    71  -0.30950 -1.0 2.0
   48    49    53    71   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    56   3.69350  1.0 1.0
   48    49    53    56  -1.82950 -1.0 2.0
   49    51    55    58   0.09850  1.0 1.0
   49    51    55    58   0.15250 -1.0 2.0
   49    51    55    58  -0.50650  1.0 3.0
   49    51    55    60   0.46850  1.0 1.0
   49    51    55    60   0.08550 -1.0 2.0
   49    51    55    60   0.09800  1.0 3.0
   49    51    67    63   0.47100  1.0 1.0
   49    51    67    68   0.17350  1.0 3.0
   49    51   -67    71   0.47100  1.0 1.0
   49    53    56    57  -0.11600  1.0 1.0
   49    53    56    57  -0.09450 -1.0 2.0
   49    53    56    57   0.21250  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    67   0.19200  1.0 3.0
   50    49    53    71   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    56   0.23400  1.0 3.0
   51    49   -53    71   0.56750  1.0 1.0
   51    49   -53    71  -0.07550 -1.0 2.0
   51    49   -53    71   0.20000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    56   0.86500  1.0 1.0
   51    49    53    56  -0.17500 -1.0 2.0
   51    49    53    56   0.20800  1.0 3.0
   51    55    58    59   7.00000 -1.0 2.0
   51    55   -58    63   7.00000 -1.0 2.0
   51    55    60    61   0.34800  1.0 3.0
   51    55    60    62   0.34800  1.0 3.0
   51    55    60    66   0.09700  1.0 1.0
   51    55    60    66   0.15600 -1.0 2.0
   51    55    60    66  -0.50800  1.0 3.0
   51    67    71    72   0.15000  1.0 3.0
   51    67    71    73   0.15000  1.0 3.0
   51    67   -71    53   0.47100  1.0 1.0
   52    51    55    58   0.00000  1.0 1.0
   52    51    55    60   0.34800  1.0 3.0
   52    51    67    63   0.15000  1.0 3.0
   52    51    67    68   0.13050  1.0 3.0
   52    51    67    71   0.15000  1.0 3.0
   55    51   -67    63   0.08000 -1.0 2.0
   55    51    67    68   0.17350  1.0 3.0
   55    51    67    71   0.08000 -1.0 2.0
   55    58    63    64   0.00000  1.0 1.0
   55    58    63    65   0.00000  1.0 1.0
   55    58   -63    67   0.80850  1.0 1.0
   55    58   -63    67  -0.47300 -1.0 2.0
   55    58   -63    67  -0.52300  1.0 3.0
   55    60    66    69  -0.82050  1.0 1.0
   55    60    66    69   0.00600 -1.0 2.0
   55    60    66    69   0.04400  1.0 3.0
   58    55    60    61   0.00000  1.0 1.0
   58    55    60    62   0.00000  1.0 1.0
   58    55    60    66   0.39000  1.0 1.0
   58    55    60    66  -0.05800 -1.0 2.0
   58    55    60    66  -0.55150  1.0 3.0
   58    63   -67    51   0.08000 -1.0 2.0
   58    63    67    68   0.17350  1.0 3.0
   58    63    67    71   0.08000 -1.0 2.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    73   0.15000  1.0 3.0
   63    67    71    53   0.47100  1.0 1.0
   64    63    67    51   0.15000  1.0 3.0
   64    63    67    68   0.13050  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   65    63    67    51   0.15000  1.0 3.0
   65    63    67    68   0.13050  1.0 3.0
   65    63    67    71   0.15000  1.0 3.0
   67    51   -55    58   0.80850  1.0 1.0
   67    51   -55    58  -0.47300 -1.0 2.0
   67    51   -55    58  -0.52300  1.0 3.0
   67    51    55    60   0.52100  1.0 1.0
   67    51    55    60  -0.20350 -1.0 2.0
   67    51    55    60   0.29750  1.0 3.0
   67    71   -53    49   1.36600  1.0 1.0
   67    71   -53    49  -0.11450 -1.0 2.0
   67    71   -53    49   0.24250  1.0 3.0
   67    71    53    54   0.19200  1.0 3.0
   67    71    53    56   1.69300  1.0 1.0
   67    71    53    56  -0.48450 -1.0 2.0
   68    67    71    72   0.13050  1.0 3.0
   68    67    71    73   0.13050  1.0 3.0
   68    67    71    53   0.17350  1.0 3.0
   71    53    56    57  -0.11600  1.0 1.0
   71    53    56    57  -0.09450 -1.0 2.0
   71    53    56    57   0.21250  1.0 3.0
   72    71    53    49   0.15000  1.0 3.0
   72    71    53    54   0.15000  1.0 3.0
   72    71    53    56   0.23400  1.0 3.0
   73    71    53    49   0.15000  1.0 3.0
   73    71    53    54   0.15000  1.0 3.0
   73    71    53    56   0.23400  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    55   0.34400  1.0 1.0
   53    49    51    55   0.09450 -1.0 2.0
   53    49    51    55   0.11100  1.0 3.0
   53    49   -51    67   1.36600  1.0 1.0
   53    49   -51    67  -0.11450 -1.0 2.0
   53    49   -51    67   0.24250  1.0 3.0
   54    53    56    57   0.19450  1.0 3.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    63   7.00000 -1.0 2.0
   60    66    69    70   3.00000 -1.0 2.0
   60    66    69    74   1.63150  1.0 1.0
   60    66    69    74   2.92000 -1.0 2.0
   61    60    66    69   0.08050  1.0 3.0
   62    60    66    69   0.08050  1.0 3.0
   66    69    74    75   0.36750  1.0 3.0
   66    69    74    77   0.36750  1.0 3.0
   66    69    74    81   0.30750  1.0 1.0
   66    69    74    81   1.13850 -1.0 2.0
   66    69    74    81   0.38850  1.0 3.0
   69    74    75    76  -0.11250  1.0 3.0
   69    74    75    45  -0.95700  1.0 1.0
   69    74    75    45  -0.18200 -1.0 2.0
   69    74    75    45   0.29450  1.0 3.0
   69    74    75    83  -0.95700  1.0 1.0
   69    74    75    83  -0.18200 -1.0 2.0
   69    74    75    83   0.29450  1.0 3.0
   69    74    77    78  -0.11250  1.0 3.0
   69    74    77    79  -0.11250  1.0 3.0
   69    74    77    80  -0.11250  1.0 3.0
   69    74    81    82   0.91850  1.0 1.0
   69    74    81    82   0.57950  1.0 3.0
   70    69    74    75   0.30150 -1.0 2.0
   70    69    74    77   0.30150 -1.0 2.0
   70    69    74    81   0.30150 -1.0 2.0
   74    75    45    38   0.34400  1.0 1.0
   74    75    45    38   0.09450 -1.0 2.0
   74    75    45    38   0.11100  1.0 3.0
   74    75    45    46   0.15000  1.0 3.0
   74    75    45    47   0.15000  1.0 3.0
   74    75    83    84   0.15000  1.0 3.0
   74    75    83    85   0.15000  1.0 3.0
   74    75    83    86   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    81    82  -0.11600  1.0 1.0
   75    74    81    82  -0.09450 -1.0 2.0
   75    74    81    82   0.21250  1.0 3.0
   76    75    45    38   0.15000  1.0 3.0
   76    75    45    46   0.15000  1.0 3.0
   76    75    45    47   0.15000  1.0 3.0
   76    75    83    84   0.15000  1.0 3.0
   76    75    83    85   0.15000  1.0 3.0
   76    75    83    86   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    75    83    84   0.15000  1.0 3.0
   45    75    83    85   0.15000  1.0 3.0
   45    75    83    86   0.15000  1.0 3.0
   83    75    45    38   0.34400  1.0 1.0
   83    75    45    38   0.09450 -1.0 2.0
   83    75    45    38   0.11100  1.0 3.0
   83    75    45    46   0.15000  1.0 3.0
   83    75    45    47   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    45   0.56750  1.0 1.0
   77    74    75    45  -0.07550 -1.0 2.0
   77    74    75    45   0.20000  1.0 3.0
   77    74    75    83   0.56750  1.0 1.0
   77    74    75    83  -0.07550 -1.0 2.0
   77    74    75    83   0.20000  1.0 3.0
   77    74    81    82  -0.11600  1.0 1.0
   77    74    81    82  -0.09450 -1.0 2.0
   77    74    81    82   0.21250  1.0 3.0
   81    74    75    76   0.23400  1.0 3.0
   81    74    75    45   0.86500  1.0 1.0
   81    74    75    45  -0.17500 -1.0 2.0
   81    74    75    45   0.20800  1.0 3.0
   81    74    75    83   0.86500  1.0 1.0
   81    74    75    83  -0.17500 -1.0 2.0
   81    74    75    83   0.20800  1.0 3.0
   81    74    77    78   0.23400  1.0 3.0
   81    74    77    79   0.23400  1.0 3.0
   81    74    77    80   0.23400  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   51    60    55    58   1.10000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   66    74    69    70  10.50000 -1.0 2.0
END
