* LIGAND DATABASE FILE (OPLS2005)
*
001      91    95    169    279     494
    1     0 S   NP   _N1_     1    27.96251    97.74276   -22.95715
    2     1 S   H    _HN1     2     1.02957    68.99800     7.79727
    3     1 S   H    _H1_     3     1.02836    41.52000   162.93566
    4     1 S   H    _H2_     4     1.02776   104.70079   -96.54636
    5     1 S   CT   _CA1     5     1.50129   140.40758   104.78539
    6     5 S   HC   _HA1     6     1.09575   105.21410    96.21471
    7     5 S   CO3  _C1_     7     1.53785   112.34709   -23.97735
    8     7 S   O2Z  _O11     8     1.26366   114.99278   -44.21812
    9     7 S   O2Z  _O12     9     1.26233   114.92945   134.86446
   10     5 S   CT   _CB1    10     1.53101   107.42820  -145.87713
   11    10 S   HC   HB11    11     1.09827   109.33773   -50.45861
   12    10 S   HC   HB12    12     1.09815   110.43168    66.10002
   13    10 S   CT   _CG1    13     1.53022   112.66553  -171.51983
   14    13 S   HC   HG11    14     1.09593   110.50382   -64.43330
   15    13 S   HC   HG12    15     1.09657   109.90695    54.76773
   16    13 S   C    _CD1    16     1.51839   112.30752   175.14429
   17    16 S   O    _OE1    17     1.22781   123.31439     0.99701
   18    16 S   N    _N2_    18     1.38605   111.74864  -179.09151
   19    18 S   H    _HN2    19     1.01581   118.99140     4.80665
   20    18 S   CT1  _CA2    20     1.45621   122.72971   177.55519
   21    20 S   HC   _HA2    21     1.09704   108.35491    21.26928
   22    20 S   C    _C2_    22     1.52889   108.32696   -94.29134
   23    22 S   O    _O2_    23     1.22803   123.59121   -23.25846
   24    20 S   CT   _CB2    32     1.53294   112.15132   144.13359
   25    24 S   HC   HB21    33     1.09483   110.33647    39.41206
   26    24 S   HC   HB22    34     1.09218   110.15586   158.70103
   27    22 S   N    _N3_    24     1.38553   111.54230   158.58880
   28    27 S   H    _HN3    25     1.01524   119.78624     1.19501
   29    24 S   S    _SG2    35     1.83006   109.58402   -81.59006
   30    27 S   CT   _CA3    26     1.45225   123.56516   179.37442
   31    30 S   HC   HA31    27     1.09522   107.71697   -62.80437
   32    30 S   HC   HA32    28     1.09535   107.93579    53.86494
   33    29 S   CT   _C20    36     1.84489   102.33775  -176.02305
   34    30 S   CO3  _C3_    29     1.53034   113.39886   175.90701
   35    34 S   O2Z  _O31    30     1.26507   115.82963     7.03609
   36    34 S   O2Z  _O32    31     1.26324   114.68350  -172.73331
   37    33 S   C5B  _C21    37     1.52205   111.54283  -178.70850
   38    33 S   CM   _C17    52     1.52718   114.58097    50.83822
   39    37 S   C5A  _C22    38     1.38709   126.08565   133.10524
   40    39 S   HA   _H22    39     1.08160   131.14308    -0.94585
   41    38 S   C5B  _C10    53     1.42458   121.01818    68.85659
   42    38 S   CMA  _C18    86     1.34640   112.24113  -114.03518
   43    42 S   OM   _O34    87     1.25287   137.54428  -178.89731
   44    39 S   NA   _N7_    40     1.36554   109.32062   178.77172
   45    44 S   H    _H23    41     1.01053   124.93077  -179.92598
   46    41 S   C5A  _C9_    54     1.37744   125.06381   -90.82595
   47    46 S   HA   _H16    55     1.08155   131.28413     0.49811
   48    42 S   N    _N6_    88     1.36388   108.51615     0.85866
   49    48 S   H    _H21    89     1.01180   122.06612   179.65965
   50    44 S   C56A _C23    42     1.37155   110.23531    -1.09789
   51    46 S   NA   _N5_    56     1.37181   107.96432  -178.69644
   52    33 S   C    _C19    90     1.54417   106.55484   -57.57741
   53    52 S   O    _O33    91     1.22350   126.85736   -59.73511
   54    50 S   CA   _C28    43     1.40043   129.64197  -178.79943
   55    54 S   HA   _H27    44     1.08509   121.34463    -0.37794
   56    51 S   C56A _C12    57     1.38109   110.23126     0.68443
   57    51 S   CT   _C8_    67     1.45411   124.15133   177.75179
   58    57 S   HC   _H14    68     1.09654   106.83150  -136.69753
   59    57 S   HC   _H15    69     1.09371   108.12203   -22.73780
   60    54 S   CA   _C27    45     1.39591   117.83413   179.30508
   61    60 S   HA   _H26    46     1.08689   119.51115  -179.78878
   62    56 S   CA   _C13    58     1.40443   131.14947   179.82754
   63    62 S   HA   _H17    59     1.08508   121.51256     0.56023
   64    57 S   CT   _C7_    70     1.53008   113.76785   102.10134
   65    64 S   HC   _H12    71     1.09733   109.03726    54.98913
   66    64 S   HC   _H13    72     1.09534   108.73658   169.69311
   67    60 S   CA   _C26    47     1.39024   120.78371     0.07133
   68    67 S   HA   _H25    48     1.08659   119.82670  -179.75134
   69    62 S   CA   _C14    60     1.39742   118.21314  -179.36173
   70    69 S   HA   _H18    61     1.08699   119.43749  -179.90309
   71    64 S   CT   _C6_    73     1.52863   115.43034   -66.11502
   72    71 S   HC   _H10    74     1.09434   110.42827    56.27268
   73    71 S   HC   _H11    75     1.09599   110.59224   175.96740
   74    67 S   CA   _C25    49     1.39953   120.61234     0.12195
   75    74 S   HA   _H24    50     1.08481   118.86758  -179.48909
   76    69 S   CA   _C15    62     1.39065   120.95119     0.41022
   77    76 S   HA   _H19    63     1.08657   119.86588   179.69804
   78    71 S   NP   _N4_    76     1.51226   113.15387   -63.99720
   79    78 S   H    _H6_    77     1.03279   109.08834    51.27843
   80    37 S   C56B _C24    51     1.44865   128.38237   -49.49775
   81    76 S   CA   _C16    64     1.39772   120.56366    -0.19281
   82    81 S   HA   _H20    65     1.08642   119.73480   179.78878
   83    78 S   CT   _C4_    78     1.50708   110.88398   167.32750
   84    83 S   HC   _H3_    79     1.09325   108.58138    64.03373
   85    83 S   HC   _H4_    80     1.09319   108.20398  -175.24610
   86    83 S   HC   _H5_    81     1.09250   108.02225   -56.42141
   87    78 S   CT   _C5_    82     1.50538   113.80959   -67.05304
   88    87 S   HC   _H7_    83     1.09307   108.67087   -56.39574
   89    87 S   HC   _H8_    84     1.09169   108.53716    64.84562
   90    87 S   HC   _H9_    85     1.09356   108.19920  -176.78624
   91    41 S   C56B _C11    66     1.42718   127.17707    92.45075
  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  15   8   4  14   7   3   7   3  10   4   3
   2   8  13   2   1   7   4  12  11   5   4   6   3   7   4   9
   5   4   4   3   6   3  12   5   4   2   1   4   3   9   8   1
   2   1   7   3   2   1   3   2   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    80    38    41    42    48    52    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    44    50    74    80    38    41    46    91    42    43    48    49    52    53  
   35    36  
   36  
    0  
   39    40    44    45    50    54    67    74    75    80    38    41    42    48    52    53  
   41    46    47    51    56    81    91    42    43    48    49    52    53    39    80  
   40    44    45    50    54    74    80    52  
   44    45    50    80  
   46    47    51    56    62    76    81    82    91    57    42    43    48    52  
   43    48    49    52    53    46    91  
   48    49    52  
   45    50    54    55    60    74    80  
   50    54    80  
   47    51    56    62    81    91    57    58    59    64  
   51    56    91    57  
   49    52    53  
   52    53  
   54    55    60    61    67    74    75    80  
   56    62    63    69    81    91    57    58    59    64    65    66    71  
   53    80  
    0  
   55    60    61    67    68    74    80  
   60    61    67    80  
   62    63    69    70    76    81    82    91    57    58    59    64  
   58    59    64    65    66    71    72    73    78    62    91  
   59    64    65    66    71  
   64    65    66    71  
   61    67    68    74    75    80  
   67    68    74  
   63    69    70    76    77    81    91  
   69    70    76    91  
   65    66    71    72    73    78    79    83    87  
   66    71    72    73    78  
   71    72    73    78  
   68    74    75    80  
   74    75    80  
   70    76    77    81    82    91  
   76    77    81  
   72    73    78    79    83    84    85    86    87    88    89    90  
   73    78    79    83    87  
   78    79    83    87  
   75    80  
   80  
   77    81    82    91  
   81    82    91  
   79    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
    0  
   82    91  
   91  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
    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   0.223400   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   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0700  -0.119000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   45   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.822500   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   79   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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   295.000  1.494
   33    38   317.000  1.510
   33    52   317.000  1.522
   37    39   520.000  1.370
   37    80   380.000  1.440
   39    40   367.000  1.080
   39    44   427.000  1.381
   44    45   434.000  1.010
   44    50   428.000  1.380
   50    54   469.000  1.400
   50    80   447.000  1.419
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    74   469.000  1.400
   74    75   367.000  1.080
   74    80   469.000  1.404
   38    41   320.000  1.460
   38    42   465.000  1.376
   41    46   520.000  1.370
   41    91   380.000  1.440
   46    47   367.000  1.080
   46    51   427.000  1.381
   51    56   428.000  1.380
   51    57   320.000  1.443
   56    62   469.000  1.400
   56    91   447.000  1.419
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    70   367.000  1.080
   69    76   469.000  1.400
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    82   367.000  1.080
   81    91   469.000  1.404
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   367.000  1.471
   78    79   434.000  1.010
   78    83   367.000  1.471
   78    87   367.000  1.471
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   42    43   745.000  1.250
   42    48   400.000  1.384
   48    49   434.000  1.010
   48    52   490.000  1.335
   52    53   570.000  1.229
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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    52    70.00000  112.33000
   33    37    39    55.00000  127.77900
   33    37    80    55.00000  128.73000
   33    38    41    60.00000  124.00000
   33    38    42    70.00000  124.00000
   33    52    48    70.00000  116.60000
   33    52    53    80.00000  120.40000
   37    39    40    35.00000  130.70000
   37    39    44    70.00000  106.30000
   37    80    50    80.00000  107.43600
   37    80    74    50.00000  134.85500
   39    44    45    35.00000  120.00000
   39    44    50    90.00000  107.14200
   44    39    40    35.00000  121.60000
   44    50    54    70.00000  132.80000
   44    50    80    70.00000  104.40000
   50    44    45    35.00000  123.10000
   50    54    55    35.00000  120.00000
   50    54    60    85.00000  120.00000
   50    80    74    85.00000  116.20000
   54    60    61    35.00000  120.00000
   54    60    67    63.00000  120.00000
   60    54    55    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    74    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    74    75    35.00000  120.00000
   67    74    80    63.00000  120.00000
   74    67    68    35.00000  120.00000
   80    37    39    80.00000  105.82900
   80    50    54    85.00000  122.70000
   80    74    75    35.00000  120.00000
   38    33    37    70.00000  112.36000
   38    41    46    60.00000  118.70000
   38    41    91    60.00000  118.70000
   38    42    43    65.00000  137.10300
   38    42    48    75.00000  120.83300
   41    46    47    35.00000  130.70000
   41    46    51    70.00000  106.30000
   41    91    56    80.00000  107.43600
   41    91    81    50.00000  134.85500
   46    51    56    90.00000  107.14200
   46    51    57    65.00000  127.50000
   51    46    47    35.00000  121.60000
   51    56    62    70.00000  132.80000
   51    56    91    70.00000  104.40000
   51    57    58    50.00000  108.61900
   51    57    59    50.00000  108.61900
   51    57    64    75.00000  111.19500
   56    62    63    35.00000  120.00000
   56    62    69    85.00000  120.00000
   56    91    81    85.00000  116.20000
   62    69    70    35.00000  120.00000
   62    69    76    63.00000  120.00000
   69    62    63    35.00000  120.00000
   69    76    77    35.00000  120.00000
   69    76    81    63.00000  120.00000
   76    69    70    35.00000  120.00000
   76    81    82    35.00000  120.00000
   76    81    91    63.00000  120.00000
   81    76    77    35.00000  120.00000
   91    41    46    80.00000  105.82900
   91    56    62    85.00000  122.70000
   91    81    82    35.00000  120.00000
   57    51    56    65.00000  128.16600
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    71    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    78    80.00000  111.20000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    78    79    35.00000  109.50000
   71    78    83    75.00000  113.01200
   71    78    87    75.00000  113.01200
   73    71    72    33.00000  107.80000
   78    71    72    35.00000  109.50000
   78    71    73    35.00000  109.50000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   78    87    88    35.00000  109.50000
   78    87    89    35.00000  109.50000
   78    87    90    35.00000  109.50000
   83    78    79    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    78    79    35.00000  109.50000
   87    78    83    75.00000  113.01200
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   42    38    41    60.00000  123.66000
   42    48    49    45.00000  117.55000
   42    48    52    70.00000  120.89900
   48    42    43   110.00000  107.01400
   48    52    53    80.00000  122.90000
   52    33    37    70.00000  109.44300
   52    33    38    70.00000  115.00700
   52    48    49    35.00000  119.80000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39  -0.16000  1.0 1.0
   29    33    37    39  -0.03200 -1.0 2.0
   29    33    37    39   0.04500  1.0 3.0
   29    33    37    80  -0.16000  1.0 1.0
   29    33    37    80  -0.03200 -1.0 2.0
   29    33    37    80   0.04500  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    52    48   0.00000  1.0 1.0
   29    33    52    53   0.30150 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    44   3.62500 -1.0 2.0
   33    37    80    50   3.62500 -1.0 2.0
   33    37    80    74   3.62500 -1.0 2.0
   33    38    41    46  -0.02500  1.0 1.0
   33    38    41    46  -0.32150 -1.0 2.0
   33    38    41    46  -0.01500  1.0 3.0
   33    38    41    91  -0.02500  1.0 1.0
   33    38    41    91  -0.32150 -1.0 2.0
   33    38    41    91  -0.01500  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38   -42    48   7.00000 -1.0 2.0
   37    33    38    41   0.09700  1.0 1.0
   37    33    38    41   0.15600 -1.0 2.0
   37    33    38    41  -0.50800  1.0 3.0
   37    33    38    42   1.44450  1.0 1.0
   37    33    38    42   0.06600 -1.0 2.0
   37    33    38    42   0.29250  1.0 3.0
   37    33    52    48   0.00000  1.0 1.0
   37    33    52    53   0.30150 -1.0 2.0
   37    39    44    45   1.40000 -1.0 2.0
   37    39   -44    50   3.62500 -1.0 2.0
   39    37   -80    50   3.50000 -1.0 2.0
   39    37    80    74   3.62500 -1.0 2.0
   39    44    50    54   3.62500 -1.0 2.0
   39    44   -50    80   3.62500 -1.0 2.0
   40    39    44    45   2.00000 -1.0 2.0
   40    39    44    50   3.62500 -1.0 2.0
   44    50    54    55   3.62500 -1.0 2.0
   44    50    54    60   3.62500 -1.0 2.0
   44    50   -80    37   3.00000 -1.0 2.0
   44    50    80    74   3.00000 -1.0 2.0
   45    44    50    54   1.52500 -1.0 2.0
   45    44    50    80   1.52500 -1.0 2.0
   50    54    60    61   3.62500 -1.0 2.0
   50    54    60    67   3.62500 -1.0 2.0
   54    50    80    37   3.00000 -1.0 2.0
   54    50    80    74   3.00000 -1.0 2.0
   54    60    67    68   3.62500 -1.0 2.0
   54    60   -67    74   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    67   3.62500 -1.0 2.0
   60    67    74    75   3.62500 -1.0 2.0
   60    67    74    80   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    74   3.62500 -1.0 2.0
   67    74    80    37   3.62500 -1.0 2.0
   67    74   -80    50   3.50000 -1.0 2.0
   68    67    74    75   3.62500 -1.0 2.0
   68    67    74    80   3.62500 -1.0 2.0
   75    74    80    37   3.62500 -1.0 2.0
   75    74    80    50   3.50000 -1.0 2.0
   80    37    39    40   3.62500 -1.0 2.0
   80    37   -39    44   3.62500 -1.0 2.0
   80    50    54    55   3.62500 -1.0 2.0
   80    50   -54    60   3.62500 -1.0 2.0
   38    33    37    39   0.18050 -1.0 2.0
   38    33    37    80   0.18050 -1.0 2.0
   38    33   -52    48   0.00000  1.0 1.0
   38    33    52    53   0.30150 -1.0 2.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    51   3.62500 -1.0 2.0
   38    41    91    56   3.62500 -1.0 2.0
   38    41    91    81   3.62500 -1.0 2.0
   38    42    48    49   0.78350 -1.0 2.0
   38    42   -48    52  -0.18900  1.0 1.0
   38    42   -48    52   1.70900 -1.0 2.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    48   7.00000 -1.0 2.0
   41    46   -51    56   3.62500 -1.0 2.0
   41    46    51    57   3.62500 -1.0 2.0
   46    41   -91    56   3.50000 -1.0 2.0
   46    41    91    81   3.62500 -1.0 2.0
   46    51    56    62   3.62500 -1.0 2.0
   46    51   -56    91   3.62500 -1.0 2.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    59   0.00000  1.0 1.0
   46    51    57    64   1.10250  1.0 1.0
   46    51    57    64   0.01650 -1.0 2.0
   46    51    57    64   0.39100  1.0 3.0
   47    46    51    56   3.62500 -1.0 2.0
   47    46    51    57   3.62500 -1.0 2.0
   51    56    62    63   3.62500 -1.0 2.0
   51    56    62    69   3.62500 -1.0 2.0
   51    56   -91    41   3.00000 -1.0 2.0
   51    56    91    81   3.00000 -1.0 2.0
   51    57    64    65   0.15000  1.0 3.0
   51    57    64    66   0.15000  1.0 3.0
   51    57    64    71  -0.64600  1.0 1.0
   51    57    64    71   0.58400 -1.0 2.0
   56    51    57    58   0.00000  1.0 1.0
   56    51    57    59   0.00000  1.0 1.0
   56    51    57    64   1.10250  1.0 1.0
   56    51    57    64   0.01650 -1.0 2.0
   56    51    57    64   0.39100  1.0 3.0
   56    62    69    70   3.62500 -1.0 2.0
   56    62    69    76   3.62500 -1.0 2.0
   62    56    91    41   3.00000 -1.0 2.0
   62    56    91    81   3.00000 -1.0 2.0
   62    69    76    77   3.62500 -1.0 2.0
   62    69   -76    81   3.62500 -1.0 2.0
   63    62    69    70   3.62500 -1.0 2.0
   63    62    69    76   3.62500 -1.0 2.0
   69    76    81    82   3.62500 -1.0 2.0
   69    76    81    91   3.62500 -1.0 2.0
   70    69    76    77   3.62500 -1.0 2.0
   70    69    76    81   3.62500 -1.0 2.0
   76    81    91    41   3.62500 -1.0 2.0
   76    81   -91    56   3.50000 -1.0 2.0
   77    76    81    82   3.62500 -1.0 2.0
   77    76    81    91   3.62500 -1.0 2.0
   82    81    91    41   3.62500 -1.0 2.0
   82    81    91    56   3.50000 -1.0 2.0
   91    41    46    47   3.62500 -1.0 2.0
   91    41   -46    51   3.62500 -1.0 2.0
   91    56    62    63   3.62500 -1.0 2.0
   91    56   -62    69   3.62500 -1.0 2.0
   57    51    56    62   3.62500 -1.0 2.0
   57    51    56    91   3.62500 -1.0 2.0
   57    64    71    72   0.15000  1.0 3.0
   57    64    71    73   0.15000  1.0 3.0
   57    64    71    78   1.36600  1.0 1.0
   57    64    71    78  -0.11450 -1.0 2.0
   57    64    71    78   0.24250  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    71   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    71   0.15000  1.0 3.0
   64    71    78    79   0.17350  1.0 3.0
   64    71    78    83   0.47100  1.0 1.0
   64    71    78    87   0.47100  1.0 1.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    78   0.19200  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    78   0.19200  1.0 3.0
   71    78    83    84   0.15000  1.0 3.0
   71    78    83    85   0.15000  1.0 3.0
   71    78    83    86   0.15000  1.0 3.0
   71    78    87    88   0.15000  1.0 3.0
   71    78    87    89   0.15000  1.0 3.0
   71    78    87    90   0.15000  1.0 3.0
   72    71    78    79   0.13050  1.0 3.0
   72    71    78    83   0.15000  1.0 3.0
   72    71    78    87   0.15000  1.0 3.0
   73    71    78    79   0.13050  1.0 3.0
   73    71    78    83   0.15000  1.0 3.0
   73    71    78    87   0.15000  1.0 3.0
   79    78    83    84   0.13050  1.0 3.0
   79    78    83    85   0.13050  1.0 3.0
   79    78    83    86   0.13050  1.0 3.0
   79    78    87    88   0.13050  1.0 3.0
   79    78    87    89   0.13050  1.0 3.0
   79    78    87    90   0.13050  1.0 3.0
   83    78    87    88   0.15000  1.0 3.0
   83    78    87    89   0.15000  1.0 3.0
   83    78    87    90   0.15000  1.0 3.0
   87    78    83    84   0.15000  1.0 3.0
   87    78    83    85   0.15000  1.0 3.0
   87    78    83    86   0.15000  1.0 3.0
   42    38    41    46   0.15800  1.0 1.0
   42    38    41    46   1.85350 -1.0 2.0
   42    38    41    46  -0.48700  1.0 3.0
   42    38    41    91   0.15800  1.0 1.0
   42    38    41    91   1.85350 -1.0 2.0
   42    38    41    91  -0.48700  1.0 3.0
   42    48   -52    33   0.67100  1.0 1.0
   42    48   -52    33   1.42150 -1.0 2.0
   42    48   -52    33   0.18700  1.0 3.0
   42    48    52    53   2.67200 -1.0 2.0
   43    42    48    49   1.00000 -1.0 2.0
   43    42    48    52  -0.56400  1.0 1.0
   43    42    48    52   0.77500 -1.0 2.0
   43    42    48    52   0.18700  1.0 3.0
   49    48    52    33   2.45000 -1.0 2.0
   49    48    52    53   2.45000 -1.0 2.0
   52    33    37    39   0.04300 -1.0 2.0
   52    33    37    80   0.04300 -1.0 2.0
   52    33    38    41   0.09700  1.0 1.0
   52    33    38    41   0.15600 -1.0 2.0
   52    33    38    41  -0.50800  1.0 3.0
   52    33   -38    42  -0.51250  1.0 1.0
   52    33   -38    42  -0.88800 -1.0 2.0
   52    33   -38    42   0.08850  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   39    80    37    33   4.00000 -1.0 2.0
   44    40    39    37   1.10000 -1.0 2.0
   45    39    44    50   1.00000 -1.0 2.0
   54    80    50    44   4.00000 -1.0 2.0
   60    55    54    50   1.10000 -1.0 2.0
   67    61    60    54   1.10000 -1.0 2.0
   74    68    67    60   1.10000 -1.0 2.0
   80    75    74    67   1.10000 -1.0 2.0
   50    74    80    37   4.00000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   46    91    41    38   4.00000 -1.0 2.0
   51    47    46    41   1.10000 -1.0 2.0
   56    57    51    46   4.00000 -1.0 2.0
   62    91    56    51   4.00000 -1.0 2.0
   69    63    62    56   1.10000 -1.0 2.0
   76    70    69    62   1.10000 -1.0 2.0
   81    77    76    69   1.10000 -1.0 2.0
   91    82    81    76   1.10000 -1.0 2.0
   56    81    91    41   4.00000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   49    52    48    42   1.00000 -1.0 2.0
   33    48    52    53  10.50000 -1.0 2.0
END
