* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    229     435
    1     0 S   NP   _N1_     1    30.82659    93.64779   -15.76332
    2     1 S   H    _HN1     2     1.02885   105.25861    -2.10821
    3     1 S   H    _H1_     3     1.02971   131.14184   128.80694
    4     1 S   H    _H2_     4     1.02889    27.73077    96.61501
    5     1 S   CT   _CA1     5     1.49790    88.20600  -114.97545
    6     5 S   HC   _HA1     6     1.09562   105.40259    43.32200
    7     5 S   CO3  _C1_     7     1.53728   112.35641   -77.17966
    8     7 S   O2Z  _O11     8     1.26354   115.05836   -47.64334
    9     7 S   O2Z  _O12     9     1.26220   114.92200   131.71563
   10     5 S   CT   _CB1    10     1.52960   107.18198   161.15172
   11    10 S   HC   HB11    11     1.09872   109.41974   -52.91259
   12    10 S   HC   HB12    12     1.09742   110.17310    63.07619
   13    10 S   CT   _CG1    13     1.53076   112.89862  -174.14884
   14    13 S   HC   HG11    14     1.09565   111.30792   -65.42519
   15    13 S   HC   HG12    15     1.09590   110.68602    54.05930
   16    13 S   C    _CD1    16     1.51354   110.03391   173.68546
   17    16 S   O    _OE1    17     1.22805   121.71205  -101.55539
   18    16 S   N    _N2_    18     1.38434   112.74222    76.61101
   19    18 S   H    _HN2    19     1.01570   119.13918     5.02024
   20    18 S   CT1  _CA2    20     1.46215   123.27097  -173.16255
   21    20 S   HC   _HA2    21     1.09720   109.36334   -10.84430
   22    20 S   C    _C2_    22     1.53288   108.53107  -126.94290
   23    22 S   O    _O2_    23     1.23018   122.24410  -145.21309
   24    20 S   CT   _CB2    32     1.53519   111.21724   110.85249
   25    24 S   HC   HB21    33     1.09563   109.70581    59.92043
   26    24 S   HC   HB22    34     1.09519   110.52552   178.68359
   27    22 S   N    _N3_    24     1.38504   113.39456    42.05514
   28    27 S   H    _HN3    25     1.01527   118.96382    -0.31714
   29    24 S   S    _SG2    35     1.82573   111.73951   -60.98584
   30    27 S   CT   _CA3    26     1.45426   123.24564   175.39759
   31    30 S   HC   HA31    27     1.09540   108.96343    29.16518
   32    30 S   HC   HA32    28     1.09489   107.17762   146.11406
   33    29 S   CT   _C20    36     1.81994    99.05852   166.54450
   34    33 S   HC   _H15    37     1.08981   110.04329   -47.81013
   35    33 S   HC   _H16    38     1.09464   107.43939    67.68163
   36    30 S   CO3  _C3_    29     1.52939   113.36016   -94.12921
   37    36 S   O2Z  _O31    30     1.26382   115.52377   -42.18130
   38    36 S   O2Z  _O32    31     1.26375   114.90343   138.78990
   39    33 S   CM   _C18    39     1.50464   110.15975  -170.23864
   40    39 S   CMA  _C19    40     1.35015   125.48688  -110.63777
   41    40 S   OM   _O38    41     1.26306   128.07544    -3.25245
   42    40 S   OS   _O37    42     1.41133   109.97542   176.23069
   43    42 S   CT   _C16    43     1.43936   107.40736   -11.48338
   44    43 S   HC   _H4_    44     1.09276   104.59802   139.53478
   45    43 S   CT   _C15    45     1.55038   108.56590  -102.95398
   46    45 S   HC   _H13    46     1.09813   109.43876   -43.74008
   47    45 S   HC   _H14    47     1.09863   108.04640    69.90973
   48    39 S   CT   _C17    59     1.51367   122.46867    67.05546
   49    48 S   HC   _H5_    60     1.09468   108.16320   -48.14275
   50    45 S   CT   _C14    48     1.54432   114.61643  -167.74068
   51    50 S   CO4  _C13    49     1.50978   111.51740    81.16665
   52    51 S   O    _O35    50     1.22050   126.42876    78.48165
   53    50 S   CT   _C21    78     1.52079   112.82382  -152.93351
   54    53 S   HC   _H17    79     1.09567   110.75359    63.39669
   55    53 S   HC   _H18    80     1.09483   111.54984   -57.90052
   56    53 S   HC   _H19    81     1.09627   111.00939  -178.42841
   57    51 S   CM   _C12    51     1.45741   110.04589   -98.70772
   58    57 S   HC   _H12    52     1.07389   126.84385   163.34235
   59    57 S   CM   _C11    53     1.33260   101.12270    -6.92345
   60    59 S   CM   _C10    54     1.44235   125.92898   166.65595
   61    50 S   OS   _O36    77     1.43864   110.35936   -30.32361
   62    60 S   CM   _C9_    55     1.35113   124.50428  -121.65238
   63    62 S   HC   _H11    56     1.09411   114.08481   176.08413
   64    60 S   CT   _C22    72     1.51359   115.43177    54.82155
   65    64 S   HC   _H20    73     1.09541   111.22025   -56.13391
   66    64 S   HC   _H21    74     1.09537   112.06122  -176.51215
   67    62 S   CT   _C8_    57     1.52807   136.28348    -3.57177
   68    67 S   HC   _H3_    58     1.09817   107.17637   116.33301
   69    64 S   OH   _O39    75     1.42421   109.44159    64.17519
   70    69 S   HO   _H22    76     0.97296   106.79231  -178.85688
   71    67 S   OS   _O34    61     1.46045   103.29895  -127.96829
   72    71 S   CO4  _C7_    62     1.36112   118.41579   -93.85427
   73    72 S   O    _O33    63     1.22199   126.31786    -1.61471
   74    72 S   CM   _C5_    64     1.48838   109.29179   177.95149
   75    74 S   CM   _C6_    65     1.34097   117.35568   162.98541
   76    75 S   HC   _H9_    66     1.08547   120.95323   179.35411
   77    75 S   HC   _H10    67     1.08544   122.36321    -0.92047
   78    74 S   CT   _C4_    68     1.49653   119.83805   -18.32531
   79    78 S   HC   _H6_    69     1.09449   110.30162   -54.90983
   80    78 S   HC   _H7_    70     1.09357   110.71649    65.40230
   81    78 S   HC   _H8_    71     1.09518   111.95878  -174.58876
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  15   6   5   9
   4  11  10   5   6   3   2   1   6   3   9  11   2   9   4   5
   3   2   5   2   1   1   5   9   3   7   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    67    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    62    67    68    48    49    71  
   41    42    43    44    45    67    48    49  
   42    43    48  
   43    44    45    46    47    50    67    48    49  
   44    45    46    47    50    51    62    67    68    48    49    71    61    53  
   45    46    47    50    67    48    49  
   46    47    50    51    52    57    59    67    48    49    61    53    54    55    56  
   47    50    51    48    61    53  
   50    51    48    61    53  
   49    71    72    50    60    62    63    67    68  
   71    62    67    68  
   51    52    57    58    59    60    61    53    54    55    56  
   52    57    58    59    60    61    53    54    55    56  
   57    58    59    61    53  
   54    55    56    57    59    61  
   55    56    61  
   56    61  
   61  
   58    59    60    62    64    61  
   59    60    61  
   60    62    63    67    64    65    66    69    61  
   62    63    67    68    71    64    65    66    69    70    61  
   62    64  
   63    67    68    71    72    64    65    66    69  
   67    68    71    64  
   65    66    69    70    67  
   66    69    70  
   69    70  
   68    71    72    73    74  
   71    72  
   70  
    0  
   72    73    74    75    78  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   317.000  1.522
   50    61   320.000  1.410
   50    53   268.000  1.529
   51    52   570.000  1.229
   51    57   320.000  1.462
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   380.000  1.444
   59    61   440.000  1.360
   60    62   549.000  1.340
   60    64   317.000  1.510
   62    63   340.000  1.080
   62    67   317.000  1.510
   67    68   340.000  1.090
   67    48   268.000  1.529
   67    71   320.000  1.410
   48    49   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    67    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    67    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    63.00000  111.10000
   45    50    61    50.00000  109.50000
   45    50    53    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    51    52    80.00000  120.40000
   50    51    57    65.00000  118.62400
   50    61    59    90.00000  111.18400
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    40.00000  117.72500
   51    57    59    65.00000  118.96000
   57    51    52    80.00000  123.72100
   57    59    60    70.00000  123.01800
   57    59    61    80.00000  120.01400
   59    57    58    35.00000  120.00000
   59    60    62    70.00000  123.01800
   59    60    64    70.00000  124.00000
   60    62    63    35.00000  120.00000
   60    62    67    70.00000  124.00000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    69    90.00000  110.39200
   62    67    68    35.00000  109.50000
   62    67    48    70.00000  112.02700
   62    67    71    85.00000  110.90400
   67    62    63    35.00000  117.00000
   67    48    49    37.50000  110.70000
   67    71    72    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    67    68    37.50000  110.70000
   71    67    68    35.00000  109.50000
   71    67    48    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    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
   64    60    62    70.00000  124.00000
   64    69    70    55.00000  108.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   61    50    51    90.00000  108.74100
   61    59    60    80.00000  120.01400
   53    50    51    63.00000  111.10000
   53    50    61    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    67   0.46850  1.0 1.0
   33    39    48    67   0.08550 -1.0 2.0
   33    39    48    67   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    67   0.09850  1.0 1.0
   40    39    48    67   0.15250 -1.0 2.0
   40    39    48    67  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    67   0.62750  1.0 1.0
   42    43    48    67  -0.30950 -1.0 2.0
   42    43    48    67   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51  -0.95700  1.0 1.0
   43    45    50    51  -0.18200 -1.0 2.0
   43    45    50    51   0.29450  1.0 3.0
   43    45    50    61   0.62750  1.0 1.0
   43    45    50    61  -0.30950 -1.0 2.0
   43    45    50    61   0.27300  1.0 3.0
   43    45    50    53   0.56750  1.0 1.0
   43    45    50    53  -0.07550 -1.0 2.0
   43    45    50    53   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    67   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    67   0.56750  1.0 1.0
   45    43    48    67  -0.07550 -1.0 2.0
   45    43    48    67   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   0.30150 -1.0 2.0
   45    50    51    57   0.65300  1.0 1.0
   45    50    51    57  -0.03850 -1.0 2.0
   45    50    51    57   0.33900  1.0 3.0
   45    50    61    59  -0.46850  1.0 1.0
   45    50    61    59   0.09300 -1.0 2.0
   45    50    61    59  -0.12850  1.0 3.0
   45    50    53    54   0.15000  1.0 3.0
   45    50    53    55   0.15000  1.0 3.0
   45    50    53    56   0.15000  1.0 3.0
   46    45    50    51  -0.11250  1.0 3.0
   46    45    50    61   0.23400  1.0 3.0
   46    45    50    53   0.15000  1.0 3.0
   47    45    50    51  -0.11250  1.0 3.0
   47    45    50    61   0.23400  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   50    51    57    58   0.04550  1.0 1.0
   50    51    57    58   0.83000 -1.0 2.0
   50    51    57    58  -0.04000  1.0 3.0
   50    51   -57    59  -0.33500  1.0 1.0
   50    51   -57    59   1.06600 -1.0 2.0
   50    51   -57    59  -0.14000  1.0 3.0
   51    50   -61    59  -0.48150  1.0 1.0
   51    50   -61    59   0.09250 -1.0 2.0
   51    50   -61    59  -0.12850  1.0 3.0
   51    50    53    54  -0.11250  1.0 3.0
   51    50    53    55  -0.11250  1.0 3.0
   51    50    53    56  -0.11250  1.0 3.0
   51    57    59    60   7.00000 -1.0 2.0
   51    57   -59    61   7.00000 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   1.00000 -1.0 2.0
   57    59    60    62   0.28850  1.0 1.0
   57    59    60    62   2.61350 -1.0 2.0
   57    59    60    62   0.78400  1.0 3.0
   57    59    60    64  -0.18600  1.0 3.0
   57    59   -61    50  -2.26850  1.0 1.0
   57    59   -61    50   3.39050 -1.0 2.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    60    62    63   7.00000 -1.0 2.0
   59    60    62    67   7.00000 -1.0 2.0
   59    60    64    65   0.00000  1.0 1.0
   59    60    64    66   0.00000  1.0 1.0
   59    60    64    69  -0.17300  1.0 1.0
   59    60    64    69   0.35150 -1.0 2.0
   59    60    64    69   0.31550  1.0 3.0
   60    59    61    50  -2.26850  1.0 1.0
   60    59    61    50   3.39050 -1.0 2.0
   60    62    67    68   0.00000  1.0 1.0
   60    62    67    48   0.09850  1.0 1.0
   60    62    67    48   0.15250 -1.0 2.0
   60    62    67    48  -0.50650  1.0 3.0
   60    62    67    71   0.39000  1.0 1.0
   60    62    67    71  -0.05800 -1.0 2.0
   60    62    67    71  -0.55150  1.0 3.0
   60    64    69    70  -0.07800  1.0 1.0
   60    64    69    70  -0.21500 -1.0 2.0
   60    64    69    70  -0.03150  1.0 3.0
   62    60    64    65   0.00000  1.0 1.0
   62    60    64    66   0.00000  1.0 1.0
   62    60    64    69   0.67800  1.0 1.0
   62    60    64    69   0.47050 -1.0 2.0
   62    60    64    69  -0.62500  1.0 3.0
   62    67    48    39   0.31000  1.0 1.0
   62    67    48    39   0.14700 -1.0 2.0
   62    67    48    39   0.07550  1.0 3.0
   62    67    48    43   0.34400  1.0 1.0
   62    67    48    43   0.09450 -1.0 2.0
   62    67    48    43   0.11100  1.0 3.0
   62    67    48    49   0.15000  1.0 3.0
   62    67    71    72  -0.82050  1.0 1.0
   62    67    71    72   0.00600 -1.0 2.0
   62    67    71    72   0.04400  1.0 3.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    48   0.00000  1.0 1.0
   63    62    67    71   0.00000  1.0 1.0
   67    71    72    73   3.00000 -1.0 2.0
   67    71    72    74   2.00000 -1.0 2.0
   68    67    48    39   0.15000  1.0 3.0
   68    67    48    43   0.15000  1.0 3.0
   68    67    48    49   0.15000  1.0 3.0
   68    67    71    72   0.08050  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   48    67    71    72  -0.25900  1.0 1.0
   48    67    71    72  -0.47000 -1.0 2.0
   48    67    71    72   0.11750  1.0 3.0
   71    67    48    39   0.61850  1.0 1.0
   71    67    48    39  -0.22750 -1.0 2.0
   71    67    48    39   0.15300  1.0 3.0
   71    67    48    43   0.62750  1.0 1.0
   71    67    48    43  -0.30950 -1.0 2.0
   71    67    48    43   0.27300  1.0 3.0
   71    67    48    49   0.23400  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    78  -0.15000  1.0 1.0
   71    72    74    78   0.89550 -1.0 2.0
   71    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   64    60    62    63   7.00000 -1.0 2.0
   64    60    62    67   7.00000 -1.0 2.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70   0.19450  1.0 3.0
   61    50    51    52   0.30150 -1.0 2.0
   61    50   -51    57   0.65300  1.0 1.0
   61    50   -51    57  -0.03850 -1.0 2.0
   61    50   -51    57   0.33900  1.0 3.0
   61    50    53    54   0.23400  1.0 3.0
   61    50    53    55   0.23400  1.0 3.0
   61    50    53    56   0.23400  1.0 3.0
   61    59    60    62  -0.51250  1.0 1.0
   61    59    60    62   1.23350 -1.0 2.0
   61    59    60    64   1.08500 -1.0 2.0
   53    50    51    52   0.30150 -1.0 2.0
   53    50    51    57   0.65300  1.0 1.0
   53    50    51    57  -0.03850 -1.0 2.0
   53    50    51    57   0.33900  1.0 3.0
   53    50    61    59  -0.46850  1.0 1.0
   53    50    61    59   0.09300 -1.0 2.0
   53    50    61    59  -0.12850  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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   50    57    51    52  10.50000 -1.0 2.0
   51    58    57    59   1.10000 -1.0 2.0
   60    61    59    57   1.10000 -1.0 2.0
   59    64    60    62   1.10000 -1.0 2.0
   67    63    62    60   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
