* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    239     457
    1     0 S   NP   _N1_     1    28.78908    94.16974   -25.91467
    2     1 S   H    _HN1     2     1.02828    25.43282  -163.08937
    3     1 S   H    _H1_     3     1.02793   120.01964   -96.00312
    4     1 S   H    _H2_     4     1.02948    81.82368    10.52960
    5     1 S   CT   _CA1     5     1.50120   118.83335   119.39444
    6     5 S   HC   _HA1     6     1.09575   105.17537    85.90383
    7     5 S   CO3  _C1_     7     1.53765   112.43420   -34.31027
    8     7 S   O2Z  _O11     8     1.26372   115.00776   -43.45679
    9     7 S   O2Z  _O12     9     1.26234   114.93369   135.57518
   10     5 S   CT   _CB1    10     1.53063   107.40757  -156.15252
   11    10 S   HC   HB11    11     1.09839   109.31851   -49.72580
   12    10 S   HC   HB12    12     1.09811   110.48083    66.85798
   13    10 S   CT   _CG1    13     1.53017   112.64155  -170.68080
   14    13 S   HC   HG11    14     1.09574   110.70240   -66.94528
   15    13 S   HC   HG12    15     1.09670   109.73022    52.30560
   16    13 S   C    _CD1    16     1.51810   112.04206   172.75183
   17    16 S   O    _OE1    17     1.22752   123.20979    10.58165
   18    16 S   N    _N2_    18     1.38636   111.81058  -169.44848
   19    18 S   H    _HN2    19     1.01585   119.00032     1.15046
   20    18 S   CT1  _CA2    20     1.46188   123.34978   176.55565
   21    20 S   HC   _HA2    21     1.09732   109.36442     6.03777
   22    20 S   C    _C2_    22     1.53646   108.71286  -109.54110
   23    22 S   O    _O2_    23     1.23078   122.27374  -147.58636
   24    20 S   CT   _CB2    32     1.53268   111.67354   128.15956
   25    24 S   HC   HB21    33     1.09411   109.63357    56.78270
   26    24 S   HC   HB22    34     1.09432   109.64932   175.65400
   27    22 S   N    _N3_    24     1.38320   113.76519    39.90964
   28    27 S   H    _HN3    25     1.01556   119.62813    -3.38559
   29    24 S   S    _SG2    35     1.82769   111.64576   -64.61155
   30    27 S   CT   _CA3    26     1.45283   123.24094   177.21140
   31    30 S   HC   HA31    27     1.09550   107.53608   -63.71725
   32    30 S   HC   HA32    28     1.09555   107.95982    52.72486
   33    29 S   CT   _C14    36     1.86385   100.38948   178.98954
   34    30 S   CO3  _C3_    29     1.52974   114.05010   174.66461
   35    34 S   O2Z  _O31    30     1.26386   116.07899    -1.74001
   36    34 S   O2Z  _O32    31     1.26427   114.43082   178.30569
   37    33 S   CM   _C15    37     1.54464   108.15601   -72.78958
   38    33 S   CT   _C13    59     1.53568   107.29963   161.65470
   39    38 S   HC   _H15    60     1.08926   116.21752    90.31913
   40    38 S   HC   _H16    61     1.09674   112.81033   -37.14511
   41    33 S   OS   _O36    62     1.43074   108.94894    50.74718
   42    37 S   CM   _C16    38     1.35808   129.62371   104.62540
   43    42 S   HC   _H17    39     1.09635   113.26002  -177.29622
   44    37 S   CT   _C22    81     1.55992   115.16727   -72.26546
   45    44 S   OM   _O39    82     1.32560   107.08250  -100.32696
   46    44 S   HC   _H20    83     1.10383   105.61657   132.59139
   47    44 S   HC   _H21    84     1.10019   107.15428    27.70909
   48    42 S   CT   _C17    40     1.50559   139.52798     4.30657
   49    48 S   HC   _H4_    41     1.10112   104.55100   132.54102
   50    48 S   CT   _C18    42     1.52474   125.24172     6.64405
   51    50 S   HC   _H5_    43     1.09148   111.11471   -48.44979
   52    50 S   CM   _C19    44     1.50106    99.21112  -156.59342
   53    50 S   CT   _C9_    51     1.54558   114.97771    78.81288
   54    53 S   HC   _H3_    52     1.09704   108.32272   177.82885
   55    52 S   CO4  _C21    45     1.47851   108.02362    26.59751
   56    55 S   O    _O37    46     1.21715   127.22069   168.17975
   57    52 S   CM   _C20    48     1.33598   130.50436  -152.70291
   58    57 S   HC   _H18    49     1.08438   121.33371    -0.74834
   59    57 S   HC   _H19    50     1.08536   121.58125   179.55765
   60    53 S   CT   _C10    53     1.54121   114.93669   -59.47190
   61    60 S   HC   _H13    54     1.09720   108.74813    64.79878
   62    60 S   HC   _H14    55     1.09875   109.21704   176.90528
   63    53 S   OS   _O34    67     1.45179   108.00633    59.72991
   64    48 S   OS   _O38    47     1.44788   107.11605  -116.12655
   65    60 S   CT   _C11    56     1.52770   115.11920   -60.00315
   66    63 S   CO4  _C8_    68     1.35844   117.74177   148.73006
   67    66 S   O    _O33    69     1.22106   126.89214     0.13417
   68    65 S   CO4  _C12    57     1.50749   111.79408   162.54367
   69    68 S   O    _O35    58     1.22386   124.74558    61.21990
   70    65 S   CT   _C23    63     1.52259   113.17869   -71.50775
   71    70 S   HC   _H22    64     1.09502   111.29592    64.89888
   72    70 S   HC   _H23    65     1.09490   111.54593   -56.83751
   73    70 S   HC   _H24    66     1.09658   110.89347  -176.93305
   74    66 S   CM   _C6_    70     1.48489   108.51179  -179.16631
   75    74 S   CM   _C5_    71     1.34474   120.52762  -136.09540
   76    75 S   HC   _H9_    72     1.08924   117.81401  -177.71569
   77    74 S   CT   _C7_    77     1.50039   116.94632    46.13776
   78    77 S   HC   _H10    78     1.09487   110.72248   -70.09623
   79    77 S   HC   _H11    79     1.09510   110.41863    50.14985
   80    77 S   HC   _H12    80     1.09522   111.95197   169.77372
   81    75 S   CT   _C4_    73     1.49585   128.21470     4.04791
   82    81 S   HC   _H6_    74     1.09402   109.97924  -109.05188
   83    81 S   HC   _H7_    75     1.09505   109.33956   132.42786
   84    81 S   HC   _H8_    76     1.09248   113.50275    13.08235
  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  16  10   5   4  13  13   5   4   2   1   1  12
   6  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    65    68    38    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    60    65    68    69    38    39    40    41    70    44    45    46    47  
   35    36  
   36  
    0  
   42    43    48    49    50    64    65    68    38    39    40    41    44    45    46    47  
   39    40    41    70    44    42    60    65    68    69  
   40    41    65    68    69  
   41    65    68    69  
   70    71    72    73    44    42    53    60    61    62    65    68    69  
   43    48    49    50    51    52    55    64    53    44    45    46    47  
   48    49    50    64    44  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    52    55    56    64    57    53    54    60    63  
   50    51    52    55    64    53  
   51    52    55    56    64    57    58    59    53    54    60    61    62    65    63    66  
   52    55    64    57    53    54    60    63  
   55    56    64    57    58    59    53    54    60    63  
   54    60    61    62    65    68    70    63    66    67    74    55    57    64  
   60    61    62    65    63    66  
   56    64    57    58    59  
   64    57  
   58    59    64  
   59  
    0  
   61    62    65    68    69    70    71    72    73    63    66  
   62    65    68    70    63  
   65    68    70    63  
   66    67    74    75    77    65  
    0  
   68    69    70    71    72    73  
   67    74    75    76    81    77    78    79    80  
   74    75    77  
   69    70    71    72    73  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    81    82    83    84    77    78    79    80  
   76    81    82    83    84    77    78    79    80  
   81    82    83    84    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    64   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    64   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    68   317.000  1.522
   65    41   320.000  1.410
   65    70   268.000  1.529
   68    69   570.000  1.229
   68    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   63    66   214.000  1.327
   66    67   570.000  1.229
   66    74   320.000  1.462
   74    75   549.000  1.340
   74    77   317.000  1.510
   75    76   340.000  1.080
   75    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   44    45   570.000  1.307
   44    46   340.000  1.090
   44    47   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    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    68    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    65    60.00000  109.50000
   37    42    43    35.00000  120.00000
   37    42    48    70.00000  124.00000
   37    44    45    85.00000  110.90400
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    64    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.02700
   48    50    53    58.35000  112.70000
   48    64    55    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    52    55    65.00000  116.34900
   50    52    57    70.00000  124.00000
   50    53    54    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    53    63    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    64    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   64    48    49    35.00000  109.50000
   64    48    50    50.00000  109.50000
   64    55    56    83.00000  123.40000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    65    58.35000  112.70000
   53    63    66    83.00000  116.90000
   60    53    54    37.50000  110.70000
   60    65    68    63.00000  111.10000
   60    65    41    50.00000  109.50000
   60    65    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    68    69    80.00000  120.40000
   65    68    38    70.00000  116.00000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    38    39    35.00000  109.50000
   68    38    40    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    68    69    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    65    68    90.00000  108.74100
   70    65    68    63.00000  111.10000
   70    65    41    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   63    53    54    35.00000  109.50000
   63    53    60    50.00000  109.50000
   63    66    67    83.00000  123.40000
   63    66    74    90.00000  111.29400
   66    74    75    65.00000  118.96000
   66    74    77    65.00000  116.34900
   74    66    67    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    81    70.00000  124.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   81    75    76    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    74    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   44    37    42    70.00000  124.00000
   46    44    45    45.00000  125.66300
   47    44    45    45.00000  125.66300
   47    44    46    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    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    68   0.56750  1.0 1.0
   29    33    38    68  -0.07550 -1.0 2.0
   29    33    38    68   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    65   0.14700  1.0 1.0
   29    33    41    65  -1.16150 -1.0 2.0
   29    33    41    65   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    37    44    45   0.09700  1.0 1.0
   33    37    44    45   0.15600 -1.0 2.0
   33    37    44    45  -0.50800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   37    33    38    68  -0.98800  1.0 1.0
   37    33    38    68   0.48800 -1.0 2.0
   37    33    38    68   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    65  -0.77900  1.0 1.0
   37    33    41    65  -0.36900 -1.0 2.0
   37    33    41    65   0.40400  1.0 3.0
   37    42    48    49   0.00000  1.0 1.0
   37    42    48    50   0.09850  1.0 1.0
   37    42    48    50   0.15250 -1.0 2.0
   37    42    48    50  -0.50650  1.0 3.0
   37    42    48    64   0.39000  1.0 1.0
   37    42    48    64  -0.05800 -1.0 2.0
   37    42    48    64  -0.55150  1.0 3.0
   42    37    44    45   0.39000  1.0 1.0
   42    37    44    45  -0.05800 -1.0 2.0
   42    37    44    45  -0.55150  1.0 3.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    47   0.00000  1.0 1.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    52   0.31000  1.0 1.0
   42    48    50    52   0.14700 -1.0 2.0
   42    48    50    52   0.07550  1.0 3.0
   42    48    50    53   0.34400  1.0 1.0
   42    48    50    53   0.09450 -1.0 2.0
   42    48    50    53   0.11100  1.0 3.0
   42    48    64    55  -0.82050  1.0 1.0
   42    48    64    55   0.00600 -1.0 2.0
   42    48    64    55   0.04400  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    64   0.00000  1.0 1.0
   48    50   -52    55   0.09700  1.0 1.0
   48    50   -52    55   0.15600 -1.0 2.0
   48    50   -52    55  -0.50800  1.0 3.0
   48    50    52    57   0.09850  1.0 1.0
   48    50    52    57   0.15250 -1.0 2.0
   48    50    52    57  -0.50650  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    60   0.56750  1.0 1.0
   48    50    53    60  -0.07550 -1.0 2.0
   48    50    53    60   0.20000  1.0 3.0
   48    50    53    63   0.62750  1.0 1.0
   48    50    53    63  -0.30950 -1.0 2.0
   48    50    53    63   0.27300  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    64    55   0.08050  1.0 3.0
   50    48   -64    55  -0.25900  1.0 1.0
   50    48   -64    55  -0.47000 -1.0 2.0
   50    48   -64    55   0.11750  1.0 3.0
   50    52    55    56  -0.64400  1.0 1.0
   50    52    55    56   0.26850 -1.0 2.0
   50    52   -55    64  -0.15000  1.0 1.0
   50    52   -55    64   0.89550 -1.0 2.0
   50    52   -55    64  -0.06900  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    59   7.00000 -1.0 2.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    65   0.56750  1.0 1.0
   50    53    60    65  -0.07550 -1.0 2.0
   50    53    60    65   0.20000  1.0 3.0
   50    53    63    66  -0.25900  1.0 1.0
   50    53    63    66  -0.47000 -1.0 2.0
   50    53    63    66   0.11750  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    53    63   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    60   0.34400  1.0 1.0
   52    50    53    60   0.09450 -1.0 2.0
   52    50    53    60   0.11100  1.0 3.0
   52    50    53    63   0.61850  1.0 1.0
   52    50    53    63  -0.22750 -1.0 2.0
   52    50    53    63   0.15300  1.0 3.0
   52    55   -64    48   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   56    55    64    48   3.00000 -1.0 2.0
   64    48    50    51   0.23400  1.0 3.0
   64    48   -50    52   0.61850  1.0 1.0
   64    48   -50    52  -0.22750 -1.0 2.0
   64    48   -50    52   0.15300  1.0 3.0
   64    48    50    53   0.62750  1.0 1.0
   64    48    50    53  -0.30950 -1.0 2.0
   64    48    50    53   0.27300  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    64  -0.56150  1.0 1.0
   57    52    55    64   2.19150 -1.0 2.0
   53    50    52    55   0.09700  1.0 1.0
   53    50    52    55   0.15600 -1.0 2.0
   53    50    52    55  -0.50800  1.0 3.0
   53    50    52    57   0.09850  1.0 1.0
   53    50    52    57   0.15250 -1.0 2.0
   53    50    52    57  -0.50650  1.0 3.0
   53    60    65    68  -0.95700  1.0 1.0
   53    60    65    68  -0.18200 -1.0 2.0
   53    60    65    68   0.29450  1.0 3.0
   53    60    65    41   0.62750  1.0 1.0
   53    60    65    41  -0.30950 -1.0 2.0
   53    60    65    41   0.27300  1.0 3.0
   53    60    65    70   0.56750  1.0 1.0
   53    60    65    70  -0.07550 -1.0 2.0
   53    60    65    70   0.20000  1.0 3.0
   53    63    66    67   3.00000 -1.0 2.0
   53    63    66    74   2.00000 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    65   0.15000  1.0 3.0
   54    53    63    66   0.08050  1.0 3.0
   60    53    63    66  -0.25900  1.0 1.0
   60    53    63    66  -0.47000 -1.0 2.0
   60    53    63    66   0.11750  1.0 3.0
   60    65    68    69   0.30150 -1.0 2.0
   60    65    68    38   0.60050  1.0 1.0
   60    65    68    38   0.05600 -1.0 2.0
   60    65    68    38   0.26150  1.0 3.0
   60    65    41    33   0.06250  1.0 1.0
   60    65    41    33  -0.01100 -1.0 2.0
   60    65    41    33   0.28050  1.0 3.0
   60    65    70    71   0.15000  1.0 3.0
   60    65    70    72   0.15000  1.0 3.0
   60    65    70    73   0.15000  1.0 3.0
   61    60    65    68  -0.11250  1.0 3.0
   61    60    65    41   0.23400  1.0 3.0
   61    60    65    70   0.15000  1.0 3.0
   62    60    65    68  -0.11250  1.0 3.0
   62    60    65    41   0.23400  1.0 3.0
   62    60    65    70   0.15000  1.0 3.0
   65    68   -38    33   0.60050  1.0 1.0
   65    68   -38    33   0.05600 -1.0 2.0
   65    68   -38    33   0.26150  1.0 3.0
   65    68    38    39   0.00000  1.0 1.0
   65    68    38    40   0.00000  1.0 1.0
   68    65   -41    33  -1.11000  1.0 1.0
   68    65   -41    33   0.50250 -1.0 2.0
   68    65   -41    33   0.47450  1.0 3.0
   68    65    70    71  -0.11250  1.0 3.0
   68    65    70    72  -0.11250  1.0 3.0
   68    65    70    73  -0.11250  1.0 3.0
   69    68    38    33   0.30150 -1.0 2.0
   69    68    38    39   0.00000  1.0 1.0
   69    68    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    65   0.06250  1.0 1.0
   38    33   -41    65  -0.01100 -1.0 2.0
   38    33   -41    65   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    68  -0.09450  1.0 1.0
   41    33   -38    68  -1.12950 -1.0 2.0
   41    33   -38    68   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    65    68    69   0.30150 -1.0 2.0
   41    65   -68    38   0.55300  1.0 1.0
   41    65   -68    38   1.25850 -1.0 2.0
   41    65   -68    38  -0.23600  1.0 3.0
   41    65    70    71   0.23400  1.0 3.0
   41    65    70    72   0.23400  1.0 3.0
   41    65    70    73   0.23400  1.0 3.0
   70    65    68    69   0.30150 -1.0 2.0
   70    65    68    38   0.60050  1.0 1.0
   70    65    68    38   0.05600 -1.0 2.0
   70    65    68    38   0.26150  1.0 3.0
   70    65    41    33   0.06250  1.0 1.0
   70    65    41    33  -0.01100 -1.0 2.0
   70    65    41    33   0.28050  1.0 3.0
   63    53    60    61   0.23400  1.0 3.0
   63    53    60    62   0.23400  1.0 3.0
   63    53    60    65   0.62750  1.0 1.0
   63    53    60    65  -0.30950 -1.0 2.0
   63    53    60    65   0.27300  1.0 3.0
   63    66    74    75  -0.56150  1.0 1.0
   63    66    74    75   2.19150 -1.0 2.0
   63    66    74    77  -0.15000  1.0 1.0
   63    66    74    77   0.89550 -1.0 2.0
   63    66    74    77  -0.06900  1.0 3.0
   66    74    75    76   7.00000 -1.0 2.0
   66    74    75    81   7.00000 -1.0 2.0
   66    74    77    78   0.15000  1.0 3.0
   66    74    77    79   0.15000  1.0 3.0
   66    74    77    80   0.15000  1.0 3.0
   67    66    74    75   1.00000 -1.0 2.0
   67    66    74    77  -0.64400  1.0 1.0
   67    66    74    77   0.26850 -1.0 2.0
   74    75    81    82   0.00000  1.0 1.0
   74    75    81    83   0.00000  1.0 1.0
   74    75    81    84   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    80   0.00000  1.0 1.0
   76    75    81    82   0.33100  1.0 3.0
   76    75    81    83   0.33100  1.0 3.0
   76    75    81    84   0.33100  1.0 3.0
   77    74    75    76   7.00000 -1.0 2.0
   77    74    75    81   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    48   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   50    55    52    57   1.10000 -1.0 2.0
   52    64    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   65    38    68    69  10.50000 -1.0 2.0
   63    74    66    67  10.50000 -1.0 2.0
   66    77    74    75  15.00000 -1.0 2.0
   81    76    75    74  15.00000 -1.0 2.0
END
