* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    167    250     497
    1     0 S   NP   _N1_     1    28.75330    93.41330   -21.35988
    2     1 S   H    _HN1     2     1.02933    95.53672    30.30322
    3     1 S   H    _H1_     3     1.02838    24.42568   150.32066
    4     1 S   H    _H2_     4     1.02776    92.17258   -78.35919
    5     1 S   CT   _CA1     5     1.50098   135.04873   156.64578
    6     5 S   HC   _HA1     6     1.09580   105.24614    56.62830
    7     5 S   CO3  _C1_     7     1.53761   112.32176   -63.52060
    8     7 S   O2Z  _O11     8     1.26320   114.99321   -46.41177
    9     7 S   O2Z  _O12     9     1.26235   114.87740   132.69118
   10     5 S   CT   _CB1    10     1.53051   107.39972   174.41009
   11    10 S   HC   HB11    11     1.09820   109.29838   -52.03040
   12    10 S   HC   HB12    12     1.09750   110.49017    64.50410
   13    10 S   CT   _CG1    13     1.52938   112.69572  -173.25445
   14    13 S   HC   HG11    14     1.09609   110.35904   -63.07672
   15    13 S   HC   HG12    15     1.09641   110.09156    56.17761
   16    13 S   C    _CD1    16     1.51782   112.22964   176.49290
   17    16 S   O    _OE1    17     1.22723   123.26305    -5.70028
   18    16 S   N    _N2_    18     1.38589   111.57869   174.65661
   19    18 S   H    _HN2    19     1.01591   118.98374     0.77884
   20    18 S   CT1  _CA2    20     1.46207   123.45241  -178.80876
   21    20 S   HC   _HA2    21     1.09733   109.38345   -12.98554
   22    20 S   C    _C2_    22     1.53441   108.31910  -128.66969
   23    22 S   O    _O2_    23     1.23013   122.25313  -146.09484
   24    20 S   CT   _CB2    32     1.53430   111.28796   109.12924
   25    24 S   HC   HB21    33     1.09575   109.67481    54.58234
   26    24 S   HC   HB22    34     1.09467   110.37631   173.48814
   27    22 S   N    _N3_    24     1.38513   113.35385    41.28966
   28    27 S   H    _HN3    25     1.01529   118.89300    -0.76515
   29    24 S   S    _SG2    35     1.82849   111.63085   -66.89162
   30    27 S   CT   _CA3    26     1.45457   123.54695   175.12971
   31    30 S   HC   HA31    27     1.09515   109.35666    21.96036
   32    30 S   HC   HA32    28     1.09499   107.09147   138.98345
   33    29 S   CT   _C21    36     1.85362   100.08770   156.55613
   34    33 S   HC   _H5_    37     1.09667   106.79189   -45.76973
   35    30 S   CO3  _C3_    29     1.52919   113.03566  -101.60041
   36    35 S   O2Z  _O31    30     1.26409   115.37631   -45.01116
   37    35 S   O2Z  _O32    31     1.26350   115.00131   135.90647
   38    33 S   CT   _C7_    38     1.56744   111.01784  -163.77839
   39    33 S   CT   _C22    87     1.53274   108.27430    71.32890
   40    39 S   HC   _H27    88     1.09541   112.04940    63.31478
   41    39 S   HC   _H28    89     1.09489   111.76022   -58.08471
   42    39 S   HC   _H29    90     1.09440   111.02917  -176.22286
   43    38 S   CO4  _C8_    39     1.54235   109.05518    57.53489
   44    43 S   O    _O33    40     1.22525   123.64367    48.46503
   45    38 S   CT   _C6_    72     1.56288   110.34248   177.93730
   46    45 S   HC   _H9_    73     1.09696   109.78261    72.95473
   47    45 S   HC   _H10    74     1.09858   106.82457   -42.27203
   48    38 S   OH   _O39    85     1.42175   106.91488   -62.90864
   49    48 S   HO   _H30    86     0.97340   107.73589  -176.05921
   50    43 S   OS   _O34    41     1.36580   110.75261  -132.66700
   51    50 S   CT   _C9_    42     1.44214   118.29792   175.34049
   52    51 S   HC   _H4_    43     1.09751   110.98586   -18.02233
   53    51 S   CO4  _C15    44     1.53069   107.54397    99.68498
   54    53 S   O    _O35    45     1.23283   120.81664   -90.83908
   55    51 S   CT   _C10    56     1.52818   106.69745  -135.63340
   56    55 S   HC   _H11    57     1.09883   108.43672    52.09327
   57    55 S   HC   _H12    58     1.09631   111.20946   -61.99393
   58    53 S   CM   _C14    46     1.49477   120.16872    82.23155
   59    58 S   CM   _C13    47     1.34451   122.77301    71.01284
   60    59 S   HC   _H17    48     1.09121   116.37073   178.45212
   61    58 S   CT   _C16    63     1.50625   115.20653  -113.58144
   62    61 S   HC   _H18    64     1.09548   111.81689   173.91949
   63    61 S   HC   _H19    65     1.09678   109.24724   -65.64152
   64    59 S   CT   _C12    49     1.50767   131.82017     1.43504
   65    64 S   HC   _H15    50     1.09921   104.27825   119.86718
   66    64 S   HC   _H16    51     1.09812   108.90139  -127.88895
   67    61 S   OS   _O36    66     1.43234   108.34962    54.90579
   68    64 S   NT   _N4_    52     1.46596   117.71457    -0.96874
   69    67 S   CO4  _C17    67     1.36651   116.86137  -157.44559
   70    69 S   O    _O37    68     1.22333   125.67188    -9.43621
   71    68 S   CT   _C11    53     1.47087   112.52023   -84.65526
   72    71 S   HC   _H13    54     1.09809   110.76131   -60.64295
   73    71 S   HC   _H14    55     1.09725   108.65825  -177.08268
   74    68 S   CT   _C20    59     1.46657   110.29566   152.93982
   75    74 S   HC   _H24    60     1.09543   110.80334  -178.08654
   76    74 S   HC   _H25    61     1.09607   112.07415    60.68704
   77    74 S   HC   _H26    62     1.09585   110.64626   -60.53750
   78    69 S   CT   _C18    69     1.53199   109.22221   167.40142
   79    78 S   CT   _C5_    70     1.56514   107.43971   -74.07384
   80    79 S   HC   _H3_    71     1.09504   107.96668    27.82543
   81    78 S   CT   _C19    79     1.53046   111.15134   159.77503
   82    81 S   HC   _H20    80     1.09550   110.76355  -179.50425
   83    81 S   HC   _H21    81     1.09428   112.71353    58.28948
   84    81 S   HC   _H22    82     1.09684   110.80543   -61.55001
   85    78 S   OH   _O38    83     1.42600   105.86734    44.36563
   86    85 S   HO   _H23    84     0.97321   108.50055    64.85310
   87    79 S   CT   _C4_    75     1.54018   111.85036   -85.69272
   88    87 S   HC   _H6_    76     1.09485   111.64460   -70.93055
   89    87 S   HC   _H7_    77     1.09597   110.43420   169.56272
   90    87 S   HC   _H8_    78     1.09481   111.26093    50.74431
  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
  15   8   2   1   1  17   6   2   1   1  12   4  15   6   5   3
   1   9  13   7  13   4   9   5   4  11  11   5   7   3   2  10
   4   3   6   7  11   4   6   2   1   3   2   1   1  12  11   6
   6   3   2   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    48    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    50    79    45    46    47    48    49    39    40    41    42  
   38    43    45    48    39    40    41    42  
   36    37  
   37  
    0  
   43    44    50    51    78    79    80    45    46    47    87    48    49    39    40    41    42  
   40    41    42    43    45    48  
   41    42  
   42  
    0  
   44    50    51    52    53    55    79    45    46    47    48    49  
   50    51    45    48  
   46    47    87    88    89    90    81    85    48    49    50    69    78    79    80  
   47    87    48    78    79    80  
   87    48    78    79    80  
   49    50    79  
    0  
   51    52    53    54    58    71    55    56    57  
   52    53    54    58    59    68    71    72    73    55    56    57    61  
   53    54    58    71    55    56    57  
   54    58    59    60    64    71    55    56    57    61    62    63    67  
   58    59    55    61  
   56    57    74    58    64    68    71    72    73  
   57    68    71    72    73  
   68    71    72    73  
   59    60    64    65    66    68    61    62    63    67    69  
   60    64    65    66    68    71    74    61    62    63    67  
   64    65    66    68    61  
   62    63    67    69    70    78    64  
   63    67    69  
   67    69  
   65    66    68    71    72    73    74    75    76    77  
   66    68    71    74  
   68    71    74  
   69    70    78    79    81    85  
   71    72    73    74    75    76    77  
   70    78    79    80    87    81    82    83    84    85    86  
   78    79    81    85  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    87    88    89    90    81    82    83    84    85    86  
   80    87    88    89    90    81    82    83    84    85    86  
   87    88    89    90    81    85  
   82    83    84    85    86    87  
   83    84    85  
   84    85  
   85  
   86    87  
    0  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    39   268.000  1.529
   38    43   317.000  1.522
   38    45   268.000  1.529
   38    48   320.000  1.410
   43    44   570.000  1.229
   43    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    58   320.000  1.462
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   382.000  1.448
   68    71   382.000  1.448
   68    74   382.000  1.448
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    69   214.000  1.327
   69    70   570.000  1.229
   69    78   317.000  1.522
   78    79   268.000  1.529
   78    81   268.000  1.529
   78    85   320.000  1.410
   79    80   340.000  1.090
   79    45   268.000  1.529
   79    87   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   553.000  0.945
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    38    43    63.00000  111.10000
   33    38    45    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    50    81.00000  111.40000
   38    45    79    58.35000  112.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    48    49    55.00000  108.50000
   43    50    51    83.00000  116.90000
   50    43    44    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    90.00000  108.74100
   50    51    55    50.00000  109.50000
   51    53    54    80.00000  120.40000
   51    53    58    65.00000  118.62400
   51    55    71    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    58    59    65.00000  118.96000
   53    58    61    65.00000  116.34900
   58    53    54    80.00000  123.72100
   58    59    60    35.00000  120.00000
   58    59    64    70.00000  124.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    67    85.00000  110.90400
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    75.00000  110.70900
   64    59    60    35.00000  117.00000
   64    68    71    51.80000  107.20000
   64    68    74    51.80000  107.20000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    55    56.20000  109.47000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   71    55    56    37.50000  110.70000
   71    55    57    37.50000  110.70000
   73    71    72    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    71    72    37.50000  110.70000
   55    71    73    37.50000  110.70000
   57    55    56    33.00000  107.80000
   74    68    71    51.80000  107.20000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    58    59    70.00000  124.00000
   61    67    69    83.00000  116.90000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   67    69    70    83.00000  123.40000
   67    69    78    81.00000  111.40000
   69    78    79    63.00000  111.10000
   69    78    81    63.00000  111.10000
   69    78    85    90.00000  109.61100
   78    69    70    80.00000  120.40000
   78    79    80    37.50000  110.70000
   78    79    45    58.35000  112.70000
   78    79    87    58.35000  112.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   78    85    86    55.00000  108.50000
   79    45    46    37.50000  110.70000
   79    45    47    37.50000  110.70000
   79    87    88    37.50000  110.70000
   79    87    89    37.50000  110.70000
   79    87    90    37.50000  110.70000
   45    38    43    63.00000  111.10000
   45    79    80    37.50000  110.70000
   47    45    46    33.00000  107.80000
   87    79    80    37.50000  110.70000
   87    79    45    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   81    78    79    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    78    79    50.00000  109.50000
   85    78    81    50.00000  109.50000
   48    38    43    90.00000  109.61100
   48    38    45    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    50   0.36750  1.0 3.0
   33    38    45    79   0.56750  1.0 1.0
   33    38    45    79  -0.07550 -1.0 2.0
   33    38    45    79   0.20000  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    48    49  -0.11600  1.0 1.0
   33    38    48    49  -0.09450 -1.0 2.0
   33    38    48    49   0.21250  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    38    45   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    50    51   1.63150  1.0 1.0
   38    43    50    51   2.92000 -1.0 2.0
   43    38    45    79  -0.95700  1.0 1.0
   43    38    45    79  -0.18200 -1.0 2.0
   43    38    45    79   0.29450  1.0 3.0
   43    38    45    46  -0.11250  1.0 3.0
   43    38    45    47  -0.11250  1.0 3.0
   43    38    48    49   0.91850  1.0 1.0
   43    38    48    49   0.57950  1.0 3.0
   43    50    51    52   0.08050  1.0 3.0
   43    50    51    53  -1.80650  1.0 1.0
   43    50    51    53   0.63900 -1.0 2.0
   43    50    51    53   0.03650  1.0 3.0
   43    50    51    55  -0.25900  1.0 1.0
   43    50    51    55  -0.47000 -1.0 2.0
   43    50    51    55   0.11750  1.0 3.0
   44    43    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.30150 -1.0 2.0
   50    51    53    58   0.65300  1.0 1.0
   50    51    53    58  -0.03850 -1.0 2.0
   50    51    53    58   0.33900  1.0 3.0
   50    51    55    71   0.62750  1.0 1.0
   50    51    55    71  -0.30950 -1.0 2.0
   50    51    55    71   0.27300  1.0 3.0
   50    51    55    56   0.23400  1.0 3.0
   50    51    55    57   0.23400  1.0 3.0
   51    53    58    59  -0.33500  1.0 1.0
   51    53    58    59   1.06600 -1.0 2.0
   51    53    58    59  -0.14000  1.0 3.0
   51    53    58    61   0.25700  1.0 1.0
   51    53    58    61   0.66200 -1.0 2.0
   51    53    58    61   0.04450  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    55    71   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   53    51    55    71  -0.95700  1.0 1.0
   53    51    55    71  -0.18200 -1.0 2.0
   53    51    55    71   0.29450  1.0 3.0
   53    51    55    56  -0.11250  1.0 3.0
   53    51    55    57  -0.11250  1.0 3.0
   53    58    59    60   7.00000 -1.0 2.0
   53    58    59    64   7.00000 -1.0 2.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    61    63   0.15000  1.0 3.0
   53    58    61    67   0.09700  1.0 1.0
   53    58    61    67   0.15600 -1.0 2.0
   53    58    61    67  -0.50800  1.0 3.0
   54    53    58    59   1.00000 -1.0 2.0
   54    53    58    61  -0.64400  1.0 1.0
   54    53    58    61   0.26850 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    68   0.90200  1.0 1.0
   58    59    64    68   0.57900 -1.0 2.0
   58    59    64    68  -0.62100  1.0 3.0
   58    61    67    69  -0.82050  1.0 1.0
   58    61    67    69   0.00600 -1.0 2.0
   58    61    67    69   0.04400  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    67   0.39000  1.0 1.0
   59    58    61    67  -0.05800 -1.0 2.0
   59    58    61    67  -0.55150  1.0 3.0
   59    64    68    71  -0.60800  1.0 1.0
   59    64    68    71   1.10050 -1.0 2.0
   59    64    68    71   0.47000  1.0 3.0
   59    64    68    74  -0.60800  1.0 1.0
   59    64    68    74   1.10050 -1.0 2.0
   59    64    68    74   0.47000  1.0 3.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    66   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   64    68    71    72   0.28000  1.0 3.0
   64    68    71    73   0.28000  1.0 3.0
   64    68    71    55   0.23450  1.0 1.0
   64    68    71    55   0.02050 -1.0 2.0
   64    68    71    55   0.25250  1.0 3.0
   64    68    74    75   0.28000  1.0 3.0
   64    68    74    76   0.28000  1.0 3.0
   64    68    74    77   0.28000  1.0 3.0
   65    64    68    71   0.28000  1.0 3.0
   65    64    68    74   0.28000  1.0 3.0
   66    64    68    71   0.28000  1.0 3.0
   66    64    68    74   0.28000  1.0 3.0
   68    71    55    51   1.53400  1.0 1.0
   68    71    55    51  -0.09950 -1.0 2.0
   68    71    55    51   0.05700  1.0 3.0
   68    71    55    56   0.15000  1.0 3.0
   68    71    55    57   0.15000  1.0 3.0
   71    68    74    75   0.28000  1.0 3.0
   71    68    74    76   0.28000  1.0 3.0
   71    68    74    77   0.28000  1.0 3.0
   72    71    55    51   0.15000  1.0 3.0
   72    71    55    56   0.15000  1.0 3.0
   72    71    55    57   0.15000  1.0 3.0
   73    71    55    51   0.15000  1.0 3.0
   73    71    55    56   0.15000  1.0 3.0
   73    71    55    57   0.15000  1.0 3.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51    53    58   0.65300  1.0 1.0
   55    51    53    58  -0.03850 -1.0 2.0
   55    51    53    58   0.33900  1.0 3.0
   74    68    71    72   0.28000  1.0 3.0
   74    68    71    73   0.28000  1.0 3.0
   74    68    71    55   0.23450  1.0 1.0
   74    68    71    55   0.02050 -1.0 2.0
   74    68    71    55   0.25250  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    64   7.00000 -1.0 2.0
   61    67    69    70   3.00000 -1.0 2.0
   61    67    69    78   1.63150  1.0 1.0
   61    67    69    78   2.92000 -1.0 2.0
   62    61    67    69   0.08050  1.0 3.0
   63    61    67    69   0.08050  1.0 3.0
   67    69    78    79   0.36750  1.0 3.0
   67    69    78    81   0.36750  1.0 3.0
   67    69    78    85   0.30750  1.0 1.0
   67    69    78    85   1.13850 -1.0 2.0
   67    69    78    85   0.38850  1.0 3.0
   69    78    79    80  -0.11250  1.0 3.0
   69    78    79    45  -0.95700  1.0 1.0
   69    78    79    45  -0.18200 -1.0 2.0
   69    78    79    45   0.29450  1.0 3.0
   69    78    79    87  -0.95700  1.0 1.0
   69    78    79    87  -0.18200 -1.0 2.0
   69    78    79    87   0.29450  1.0 3.0
   69    78    81    82  -0.11250  1.0 3.0
   69    78    81    83  -0.11250  1.0 3.0
   69    78    81    84  -0.11250  1.0 3.0
   69    78    85    86   0.91850  1.0 1.0
   69    78    85    86   0.57950  1.0 3.0
   70    69    78    79   0.30150 -1.0 2.0
   70    69    78    81   0.30150 -1.0 2.0
   70    69    78    85   0.30150 -1.0 2.0
   78    79    45    38   0.56750  1.0 1.0
   78    79    45    38  -0.07550 -1.0 2.0
   78    79    45    38   0.20000  1.0 3.0
   78    79    45    46   0.15000  1.0 3.0
   78    79    45    47   0.15000  1.0 3.0
   78    79    87    88   0.15000  1.0 3.0
   78    79    87    89   0.15000  1.0 3.0
   78    79    87    90   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   79    78    85    86  -0.11600  1.0 1.0
   79    78    85    86  -0.09450 -1.0 2.0
   79    78    85    86   0.21250  1.0 3.0
   80    79    45    38   0.15000  1.0 3.0
   80    79    45    46   0.15000  1.0 3.0
   80    79    45    47   0.15000  1.0 3.0
   80    79    87    88   0.15000  1.0 3.0
   80    79    87    89   0.15000  1.0 3.0
   80    79    87    90   0.15000  1.0 3.0
   45    38    43    44   0.30150 -1.0 2.0
   45    38    43    50   0.36750  1.0 3.0
   45    38    48    49  -0.11600  1.0 1.0
   45    38    48    49  -0.09450 -1.0 2.0
   45    38    48    49   0.21250  1.0 3.0
   45    79    87    88   0.15000  1.0 3.0
   45    79    87    89   0.15000  1.0 3.0
   45    79    87    90   0.15000  1.0 3.0
   87    79    45    38   0.56750  1.0 1.0
   87    79    45    38  -0.07550 -1.0 2.0
   87    79    45    38   0.20000  1.0 3.0
   87    79    45    46   0.15000  1.0 3.0
   87    79    45    47   0.15000  1.0 3.0
   81    78    79    80   0.15000  1.0 3.0
   81    78    79    45   0.56750  1.0 1.0
   81    78    79    45  -0.07550 -1.0 2.0
   81    78    79    45   0.20000  1.0 3.0
   81    78    79    87   0.56750  1.0 1.0
   81    78    79    87  -0.07550 -1.0 2.0
   81    78    79    87   0.20000  1.0 3.0
   81    78    85    86  -0.11600  1.0 1.0
   81    78    85    86  -0.09450 -1.0 2.0
   81    78    85    86   0.21250  1.0 3.0
   85    78    79    80   0.23400  1.0 3.0
   85    78    79    45   0.86500  1.0 1.0
   85    78    79    45  -0.17500 -1.0 2.0
   85    78    79    45   0.20800  1.0 3.0
   85    78    79    87   0.86500  1.0 1.0
   85    78    79    87  -0.17500 -1.0 2.0
   85    78    79    87   0.20800  1.0 3.0
   85    78    81    82   0.23400  1.0 3.0
   85    78    81    83   0.23400  1.0 3.0
   85    78    81    84   0.23400  1.0 3.0
   48    38    43    44   0.30150 -1.0 2.0
   48    38    43    50   0.30750  1.0 1.0
   48    38    43    50   1.13850 -1.0 2.0
   48    38    43    50   0.38850  1.0 3.0
   48    38    45    79   0.86500  1.0 1.0
   48    38    45    79  -0.17500 -1.0 2.0
   48    38    45    79   0.20800  1.0 3.0
   48    38    45    46   0.23400  1.0 3.0
   48    38    45    47   0.23400  1.0 3.0
   39    33    38    43  -0.95700  1.0 1.0
   39    33    38    43  -0.18200 -1.0 2.0
   39    33    38    43   0.29450  1.0 3.0
   39    33    38    45   0.56750  1.0 1.0
   39    33    38    45  -0.07550 -1.0 2.0
   39    33    38    45   0.20000  1.0 3.0
   39    33    38    48   0.86500  1.0 1.0
   39    33    38    48  -0.17500 -1.0 2.0
   39    33    38    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    50    43    44  10.50000 -1.0 2.0
   51    58    53    54  10.50000 -1.0 2.0
   53    61    58    59   1.10000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   67    78    69    70  10.50000 -1.0 2.0
END
