* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    248     473
    1     0 S   NP   _N1_     1    29.20428    95.31199   -23.38099
    2     1 S   H    _HN1     2     1.02782   104.15451   -83.21228
    3     1 S   H    _H1_     3     1.02949    76.66207    22.68630
    4     1 S   H    _H2_     4     1.02832    33.99810   175.70778
    5     1 S   CT   _CA1     5     1.50106   137.44238   128.46871
    6     5 S   HC   _HA1     6     1.09571   105.22460    85.24728
    7     5 S   CO3  _C1_     7     1.53791   112.39541   -35.04511
    8     7 S   O2Z  _O11     8     1.26374   114.99591   -43.83815
    9     7 S   O2Z  _O12     9     1.26233   114.94821   135.31853
   10     5 S   CT   _CB1    10     1.53085   107.44035  -156.74389
   11    10 S   HC   HB11    11     1.09831   109.43214   -49.71430
   12    10 S   HC   HB12    12     1.09815   110.42703    66.89881
   13    10 S   CT   _CG1    13     1.52996   112.58233  -170.69181
   14    13 S   HC   HG11    14     1.09584   110.60660   -64.35134
   15    13 S   HC   HG12    15     1.09666   109.83269    54.88440
   16    13 S   C    _CD1    16     1.51788   112.23292   175.38145
   17    16 S   O    _OE1    17     1.22744   123.25219     5.66448
   18    16 S   N    _N2_    18     1.38650   111.65135  -174.70805
   19    18 S   H    _HN2    19     1.01595   119.07520     0.51889
   20    18 S   CT1  _CA2    20     1.46082   123.21983   178.35408
   21    20 S   HC   _HA2    21     1.09359   108.77895    -9.05538
   22    20 S   C    _C2_    22     1.53408   109.03191  -123.83565
   23    22 S   O    _O2_    23     1.23057   122.35951  -150.96616
   24    20 S   CT   _CB2    32     1.53204   111.62734   113.06792
   25    24 S   HC   HB21    33     1.09649   109.58261    54.78493
   26    24 S   HC   HB22    34     1.09471   111.62093   172.31007
   27    22 S   N    _N3_    24     1.38320   113.53911    37.03513
   28    27 S   H    _HN3    25     1.01641   119.46220    -3.66597
   29    24 S   S    _SG2    35     1.82883   113.48360   -64.58363
   30    27 S   CT   _CA3    26     1.45276   123.17849   176.94623
   31    30 S   HC   HA31    27     1.09533   107.69959   -61.86599
   32    30 S   HC   HA32    28     1.09556   107.84345    54.52659
   33    29 S   CT   _C17    36     1.83851   100.28950   -73.91003
   34    33 S   HC   _H3_    37     1.09512   104.92222    60.98165
   35    30 S   CO3  _C3_    29     1.52915   114.11394   176.41264
   36    35 S   O2Z  _O31    30     1.26367   116.05410    -0.85775
   37    35 S   O2Z  _O32    31     1.26425   114.39753   179.23870
   38    33 S   CT   _C9_    38     1.54088   112.38012   177.97049
   39    38 S   HC   _H35    39     1.10034   105.56482   -60.47580
   40    33 S   OS   _O20    54     1.42481   111.57600   -56.40889
   41    38 S   CO4  _C4_    40     1.52410   116.25441    56.81266
   42    41 S   O    _O17    41     1.22456   125.00249    -0.35166
   43    41 S   OS   _O18    42     1.36430   113.74920  -179.81869
   44    43 S   CT   _C8_    43     1.43843   118.69757    -5.97501
   45    44 S   HC   _H33    44     1.09487   107.46711  -169.14787
   46    44 S   HC   _H34    45     1.09567   109.34628    74.70982
   47    44 S   CT   _C7_    46     1.52204   110.19872   -49.41473
   48    47 S   HC   _H31    47     1.09659   109.28343   176.35487
   49    47 S   HC   _H32    48     1.09390   107.22510   -69.01103
   50    38 S   CT   _C18    49     1.54652   110.27453  -179.07550
   51    50 S   CT   _C10    50     1.56380   112.55547   -46.68135
   52    51 S   HC   _H36    51     1.10043   106.97363   161.39790
   53    50 S   OH   _O24    83     1.44364   106.80108    69.45152
   54    53 S   HO   _H49    84     0.97265   108.48064    59.28609
   55    51 S   CO   _C15    52     1.54994   111.71544    44.78706
   56    55 S   HC   _H41    53     1.09719   108.56594  -166.75364
   57    51 S   CM   _C6_    78     1.51734   114.84248   -78.45809
   58    57 S   HC   _H30    79     1.08660   118.20990    64.61136
   59    55 S   OS1  _O26    55     1.43301   109.12773    76.38264
   60    57 S   CM   _C5_    80     1.33892   123.84284  -117.34914
   61    60 S   HC   _H28    81     1.08481   120.45359  -179.03653
   62    60 S   HC   _H29    82     1.08450   121.64738     1.01856
   63    59 S   CO1  _C16    56     1.43321   113.43641   169.83902
   64    63 S   HC   _H42    57     1.09596   108.50978    54.39530
   65    63 S   CT   _C13    58     1.53235   107.42237   173.62077
   66    65 S   HC   _H39    59     1.09711   110.07981    53.09192
   67    65 S   CT   _C11    60     1.52894   111.11370   175.63498
   68    67 S   HC   _H37    61     1.09537   110.07095    74.19254
   69    65 S   OH5  _O23    76     1.42817   109.43133   -63.99017
   70    69 S   HO   _H48    77     0.97332   107.24093  -174.34931
   71    67 S   CT   _C12    62     1.53093   111.69488   -48.67409
   72    71 S   HC   _H38    63     1.09698   109.10066   -72.31279
   73    67 S   OH5  _O21    74     1.42999   109.08043  -170.42174
   74    73 S   HO   _H46    75     0.97246   108.17074    66.58856
   75    71 S   CT   _C14    64     1.53233   110.74974    48.91633
   76    75 S   HC   _H40    65     1.09836   111.00145    64.70894
   77    71 S   OH5  _O22    72     1.42596   109.62861   170.83610
   78    77 S   HO   _H47    73     0.97308   108.09202   -57.27729
   79    63 S   OS1  _O19    66     1.42916   111.17188   -66.66582
   80    75 S   CT   _C19    67     1.52965   111.49599  -174.49576
   81    80 S   HC   _H44    68     1.09501   111.00559    69.22384
   82    80 S   HC   _H45    69     1.09399   111.53095   -53.15970
   83    80 S   OH5  _O25    70     1.42497   109.07692  -172.12560
   84    83 S   HO   _H50    71     0.97237   107.02689  -178.62314
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  16   8   9   9   3   7   8   5   4   9   4
   3  10  12   7   3   1   9   3   5   3   8   2   1   1  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    50    55    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    47    50    51    55    56    40    59    53  
   38    39    41    50    55    40  
   36    37  
   37  
    0  
   39    41    42    43    44    47    48    49    50    51    52    55    40    57    53    54  
   41    42    43    47    50    51    40    53  
   59    63    57    41    50    51    52    55    56  
   42    43    44    45    46    47    50    51    53  
   43    44    50  
   44    45    46    47    48    49    50  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    55    57    53    54  
   49    50    51    53  
   50    51    53  
   51    52    55    56    59    57    58    60    53    54  
   52    55    56    59    63    57    58    60    61    62    53    54  
   55    56    59    57    58    60    53  
   54    55    57  
    0  
   56    59    63    64    65    79    57    58    60  
   59    63    57  
   58    60    61    62    59  
   60    61    62  
   63    64    65    66    67    75    79    69  
   61    62  
   62  
    0  
   64    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    50   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   320.000  1.410
   51    52   340.000  1.090
   51    55   250.000  1.527
   51    57   317.000  1.510
   55    56   340.000  1.090
   55    40   320.000  1.380
   55    59   320.000  1.380
   59    63   370.000  1.399
   63    64   360.000  1.097
   63    65   255.000  1.525
   63    79   370.000  1.399
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    50    58.35000  112.70000
   33    40    55    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   38    50    47    58.35000  112.70000
   38    50    51    58.35000  112.70000
   38    50    53    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    38    39    37.50000  110.70000
   50    38    41    63.00000  111.10000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    55    75.00000  109.43000
   50    51    57    70.00000  112.02700
   50    53    54    55.00000  108.50000
   51    55    56    45.00000  112.01100
   51    55    40    90.00000  108.56700
   51    55    59    90.00000  108.56700
   51    57    58    35.00000  117.00000
   51    57    60    70.00000  124.00000
   55    51    52    45.00000  108.72000
   55    59    63    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    55    56    35.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    40    92.60000  111.55000
   59    63    64    60.00000  105.75400
   59    63    65    90.00000  109.70700
   59    63    79   110.00000  113.16000
   63    65    66    45.00000  109.54000
   63    65    67    70.00000  111.10000
   63    65    69    90.00000  109.42000
   63    79    75    90.00000  112.10700
   65    63    64    45.00000  111.65000
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    90.00000  111.45300
   65    69    70    65.00000  108.53500
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    90.00000  111.45300
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    63    64    60.00000  105.75400
   79    63    65    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    65    66    60.00000  109.39000
   69    65    67    90.00000  111.45300
   57    51    52    35.00000  109.50000
   57    51    55    70.00000  112.02700
   57    60    61    35.00000  120.00000
   57    60    62    35.00000  120.00000
   60    57    58    35.00000  120.00000
   62    60    61    35.00000  117.00000
   53    50    51    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    50   0.44750  1.0 1.0
   29    33    38    50  -0.17800 -1.0 2.0
   29    33    38    50   0.20200  1.0 3.0
   29    33    40    55   0.14700  1.0 1.0
   29    33    40    55  -1.16150 -1.0 2.0
   29    33    40    55   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.36750  1.0 3.0
   33    38    50    47   0.56750  1.0 1.0
   33    38    50    47  -0.07550 -1.0 2.0
   33    38    50    47   0.20000  1.0 3.0
   33    38    50    51   0.56750  1.0 1.0
   33    38    50    51  -0.07550 -1.0 2.0
   33    38    50    51   0.20000  1.0 3.0
   33    38    50    53   0.86500  1.0 1.0
   33    38    50    53  -0.17500 -1.0 2.0
   33    38    50    53   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    40    55   0.37050  1.0 3.0
   38    33    40    55   0.06250  1.0 1.0
   38    33    40    55  -0.01100 -1.0 2.0
   38    33    40    55   0.28050  1.0 3.0
   38    41    43    44   1.63150  1.0 1.0
   38    41    43    44   2.92000 -1.0 2.0
   38    50    51    52   0.15000  1.0 3.0
   38    50   -51    55   3.97050  1.0 1.0
   38    50    51    57   0.34400  1.0 1.0
   38    50    51    57   0.09450 -1.0 2.0
   38    50    51    57   0.11100  1.0 3.0
   38    50    53    54  -0.11600  1.0 1.0
   38    50    53    54  -0.09450 -1.0 2.0
   38    50    53    54   0.21250  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    50    47   0.15000  1.0 3.0
   39    38    50    51   0.15000  1.0 3.0
   39    38    50    53   0.23400  1.0 3.0
   41    38    50    47  -0.95700  1.0 1.0
   41    38    50    47  -0.18200 -1.0 2.0
   41    38    50    47   0.29450  1.0 3.0
   41    38    50    51  -0.95700  1.0 1.0
   41    38    50    51  -0.18200 -1.0 2.0
   41    38    50    51   0.29450  1.0 3.0
   41    38    50    53  -0.09450  1.0 1.0
   41    38    50    53  -1.12950 -1.0 2.0
   41    38    50    53   0.54000  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43   -44    47  -0.25900  1.0 1.0
   41    43   -44    47  -0.47000 -1.0 2.0
   41    43   -44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    49   0.23400  1.0 3.0
   43    44    47    50   0.62750  1.0 1.0
   43    44    47    50  -0.30950 -1.0 2.0
   43    44    47    50   0.27300  1.0 3.0
   44    47   -50    38   0.56750  1.0 1.0
   44    47   -50    38  -0.07550 -1.0 2.0
   44    47   -50    38   0.20000  1.0 3.0
   44    47    50    51   0.56750  1.0 1.0
   44    47    50    51  -0.07550 -1.0 2.0
   44    47    50    51   0.20000  1.0 3.0
   44    47    50    53   0.86500  1.0 1.0
   44    47    50    53  -0.17500 -1.0 2.0
   44    47    50    53   0.20800  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    51    52   0.15000  1.0 3.0
   47    50    51    55   3.97050  1.0 1.0
   47    50    51    57   0.34400  1.0 1.0
   47    50    51    57   0.09450 -1.0 2.0
   47    50    51    57   0.11100  1.0 3.0
   47    50    53    54  -0.11600  1.0 1.0
   47    50    53    54  -0.09450 -1.0 2.0
   47    50    53    54   0.21250  1.0 3.0
   48    47    50    38   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    53   0.23400  1.0 3.0
   49    47    50    38   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    53   0.23400  1.0 3.0
   50    38    41    42   0.30150 -1.0 2.0
   50    38   -41    43   0.36750  1.0 3.0
   50    51    55    56   0.15000  1.0 3.0
   50    51    55    40   0.62750  1.0 1.0
   50    51    55    40  -0.30950 -1.0 2.0
   50    51    55    40   0.27300  1.0 3.0
   50    51    55    59   0.62750  1.0 1.0
   50    51    55    59  -0.30950 -1.0 2.0
   50    51    55    59   0.27300  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    60   0.09850  1.0 1.0
   50    51    57    60   0.15250 -1.0 2.0
   50    51    57    60  -0.50650  1.0 3.0
   51    50    53    54  -0.11600  1.0 1.0
   51    50    53    54  -0.09450 -1.0 2.0
   51    50    53    54   0.21250  1.0 3.0
   51    55   -40    33   0.06250  1.0 1.0
   51    55   -40    33  -0.01100 -1.0 2.0
   51    55   -40    33   0.28050  1.0 3.0
   51    55    59    63   0.06250  1.0 1.0
   51    55    59    63  -0.01100 -1.0 2.0
   51    55    59    63   0.28050  1.0 3.0
   51    57    60    61   7.00000 -1.0 2.0
   51    57    60    62   7.00000 -1.0 2.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    40   0.23400  1.0 3.0
   52    51    55    59   0.23400  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    60   0.09850  1.0 1.0
   55    51    57    60   0.15250 -1.0 2.0
   55    51    57    60  -0.50650  1.0 3.0
   55    59    63    64   0.37050  1.0 3.0
   55    59    63    65   0.06250  1.0 1.0
   55    59    63    65  -0.01100 -1.0 2.0
   55    59    63    65   0.28050  1.0 3.0
   55    59    63    79  -0.12700  1.0 1.0
   55    59    63    79  -1.16200 -1.0 2.0
   55    59    63    79   0.58800  1.0 3.0
   56    55    40    33   0.37050  1.0 3.0
   56    55    59    63   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33   -38    50   0.62750  1.0 1.0
   40    33   -38    50  -0.30950 -1.0 2.0
   40    33   -38    50   0.27300  1.0 3.0
   40    55    59    63  -0.53350  1.0 1.0
   40    55    59    63  -0.78350 -1.0 2.0
   40    55    59    63   0.33750  1.0 3.0
   59    55    40    33  -0.81800  1.0 1.0
   59    63    65    66   0.23400  1.0 3.0
   59    63    65    67   0.62750  1.0 1.0
   59    63    65    67  -0.30950 -1.0 2.0
   59    63    65    67   0.27300  1.0 3.0
   59    63    65    69   1.51850  1.0 1.0
   59    63    79    75  -0.70400  1.0 1.0
   59    63    79    75  -0.90350 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    71   0.56750  1.0 1.0
   63    65    67    71  -0.07550 -1.0 2.0
   63    65    67    71   0.20000  1.0 3.0
   63    65    67    73  -0.47750  1.0 1.0
   63    65    69    70   0.29150  1.0 1.0
   63    65    69    70  -0.28350 -1.0 2.0
   63    65    69    70   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.23400  1.0 3.0
   64    63    79    75   0.37050  1.0 3.0
   65    63    79    75   0.06250  1.0 1.0
   65    63    79    75  -0.01100 -1.0 2.0
   65    63    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77  -0.47750  1.0 1.0
   65    67    73    74   0.29150  1.0 1.0
   65    67    73    74  -0.28350 -1.0 2.0
   65    67    73    74   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70   0.29150  1.0 1.0
   67    65    69    70  -0.28350 -1.0 2.0
   67    65    69    70   0.43600  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78   0.29150  1.0 1.0
   67    71    77    78  -0.28350 -1.0 2.0
   67    71    77    78   0.43600  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    75   -79    63   0.06250  1.0 1.0
   71    75   -79    63  -0.01100 -1.0 2.0
   71    75   -79    63   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    63   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    63    65    66   0.23400  1.0 3.0
   79    63   -65    67   0.62750  1.0 1.0
   79    63   -65    67  -0.30950 -1.0 2.0
   79    63   -65    67   0.27300  1.0 3.0
   79    63    65    69   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    63   0.06250  1.0 1.0
   80    75    79    63  -0.01100 -1.0 2.0
   80    75    79    63   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75  -0.47750  1.0 1.0
   73    67    71    77   3.77950  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71  -0.47750  1.0 1.0
   69    65    67    73   3.77950  1.0 1.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    40   0.61850  1.0 1.0
   57    51    55    40  -0.22750 -1.0 2.0
   57    51    55    40   0.15300  1.0 3.0
   57    51    55    59   0.61850  1.0 1.0
   57    51    55    59  -0.22750 -1.0 2.0
   57    51    55    59   0.15300  1.0 3.0
   58    57    60    61   7.00000 -1.0 2.0
   58    57    60    62   7.00000 -1.0 2.0
   53    50    51    52   0.23400  1.0 3.0
   53    50    51    55   0.86500  1.0 1.0
   53    50    51    55  -0.17500 -1.0 2.0
   53    50    51    55   0.20800  1.0 3.0
   53    50    51    57   1.05650  1.0 1.0
   53    50    51    57   0.15600 -1.0 2.0
   53    50    51    57   0.53150  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   51    58    57    60  15.00000 -1.0 2.0
   61    62    60    57  15.00000 -1.0 2.0
END
