* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    164    249     488
    1     0 S   NP   _N1_     1    28.77641    94.66713   -20.09793
    2     1 S   H    _HN1     2     1.02772    83.55578   -76.13334
    3     1 S   H    _H1_     3     1.02913    92.74125    32.01358
    4     1 S   H    _H2_     4     1.02831    34.50302   148.58286
    5     1 S   CT   _CA1     5     1.50104   144.54567   163.90227
    6     5 S   HC   _HA1     6     1.09577   105.20756    49.06977
    7     5 S   CO3  _C1_     7     1.53771   112.23037   -71.06657
    8     7 S   O2Z  _O11     8     1.26341   114.99534   -46.30206
    9     7 S   O2Z  _O12     9     1.26227   114.90653   132.67343
   10     5 S   CT   _CB1    10     1.53107   107.52202   166.88044
   11    10 S   HC   HB11    11     1.09814   109.31528   -50.90965
   12    10 S   HC   HB12    12     1.09817   110.48194    65.67120
   13    10 S   CT   _CG1    13     1.53066   112.59380  -172.03846
   14    13 S   HC   HG11    14     1.09590   110.23209   -63.19507
   15    13 S   HC   HG12    15     1.09637   110.11878    55.94649
   16    13 S   C    _CD1    16     1.51849   112.31621   176.16845
   17    16 S   O    _OE1    17     1.22745   123.17154    -8.04976
   18    16 S   N    _N2_    18     1.38636   111.74223   172.35859
   19    18 S   H    _HN2    19     1.01619   118.97413    -0.17804
   20    18 S   CT1  _CA2    20     1.46262   123.45397  -177.05882
   21    20 S   HC   _HA2    21     1.09734   109.26166   -11.58150
   22    20 S   C    _C2_    22     1.53362   108.65086  -127.39076
   23    22 S   O    _O2_    23     1.23024   122.18054  -147.17025
   24    20 S   CT   _CB2    32     1.53628   111.39187   110.21517
   25    24 S   HC   HB21    33     1.09420   109.70492    60.11699
   26    24 S   HC   HB22    34     1.09534   110.31485   178.00433
   27    22 S   N    _N3_    24     1.38498   113.42547    40.32406
   28    27 S   H    _HN3    25     1.01528   118.86071    -0.91856
   29    24 S   S    _SG2    35     1.83114   111.09808   -63.22147
   30    27 S   CT   _CA3    26     1.45447   123.48941   175.05141
   31    30 S   HC   HA31    27     1.09522   109.25832    23.93178
   32    30 S   HC   HA32    28     1.09497   107.11728   140.92709
   33    29 S   CT   _C17    36     1.86450   102.42662   140.89977
   34    30 S   CO3  _C3_    29     1.52924   113.09741   -99.56744
   35    34 S   O2Z  _O31    30     1.26404   115.39730   -45.07122
   36    34 S   O2Z  _O32    31     1.26357   114.99458   135.86706
   37    33 S   CO4  _C22    37     1.52015   110.25753   -57.31972
   38    37 S   O    _O34    38     1.22361   126.58750   -16.99706
   39    33 S   CT   _C16    49     1.56188   107.31788  -175.35438
   40    39 S   HC   _H29    50     1.09775   109.54007  -172.94834
   41    39 S   HC   _H30    51     1.09839   109.81893   -57.33611
   42    37 S   CO4  _C21    39     1.50250   116.05947   166.75341
   43    42 S   O    _O35    40     1.22183   119.22076   156.80419
   44    39 S   CT   _C15    52     1.54097   115.38892    65.69553
   45    44 S   HC   _H27    53     1.09310   110.02532   -55.27927
   46    44 S   HC   _H28    54     1.09589   109.91792    62.69894
   47    42 S   CM   _C20    41     1.47194   118.31748   -23.77719
   48    47 S   HC   _H31    42     1.08673   115.78487  -180.00000
   49    44 S   CT   _C14    55     1.53175   111.45265  -176.53508
   50    49 S   HC   _H25    56     1.09672   109.75487    61.27779
   51    49 S   HC   _H26    57     1.09694   109.13870   -55.48987
   52    47 S   CMA  _C19    43     1.34629   123.29369    -2.05833
   53    52 S   OM   _O33    44     1.26362   128.22604  -176.66833
   54    49 S   CT   _C13    58     1.53269   113.08562  -176.09490
   55    54 S   HC   _H23    59     1.09687   109.47071    58.04614
   56    54 S   HC   _H24    60     1.09701   108.26460   174.05753
   57    33 S   CT   _C18    45     1.55578   109.51640    63.05850
   58    57 S   HC   _H3_    46     1.09882   110.24972   -47.64029
   59    54 S   CT   _C12    61     1.53060   113.34980   -64.78344
   60    59 S   HC   _H21    62     1.09554   110.04957    62.24576
   61    59 S   HC   _H22    63     1.09659   109.64204   -55.53712
   62    57 S   OH   _O36    47     1.43882   107.98795    68.14407
   63    62 S   HO   _H32    48     0.97436   106.20363   158.17999
   64    59 S   CT   _C11    64     1.52978   111.46758  -177.11459
   65    64 S   HC   _H19    65     1.09644   109.48735   -57.40318
   66    64 S   HC   _H20    66     1.09665   109.80592    59.93089
   67    64 S   CT   _C10    67     1.52965   111.03656  -178.70035
   68    67 S   HC   _H17    68     1.09680   109.48192   -62.80410
   69    67 S   HC   _H18    69     1.09638   109.63712    54.31431
   70    67 S   CT   _C9_    70     1.52887   111.42588   175.62583
   71    70 S   HC   _H15    71     1.09672   109.63833    58.57443
   72    70 S   HC   _H16    72     1.09689   109.49518   -58.75336
   73    70 S   CT   _C8_    73     1.52952   111.27696  -179.97202
   74    73 S   HC   _H13    74     1.09679   109.54846   -59.66779
   75    73 S   HC   _H14    75     1.09667   109.63348    57.59837
   76    73 S   CT   _C7_    76     1.52938   111.32371   178.93909
   77    76 S   HC   _H11    77     1.09679   109.57455    58.79207
   78    76 S   HC   _H12    78     1.09684   109.55709   -58.50614
   79    76 S   CT   _C6_    79     1.52951   111.31665  -179.82086
   80    79 S   HC   _H9_    80     1.09687   109.57105    58.59682
   81    79 S   HC   _H10    81     1.09684   109.57782   -58.67310
   82    79 S   CT   _C5_    82     1.52844   111.32702   179.96044
   83    82 S   HC   _H7_    83     1.09623   109.86570   -58.85058
   84    82 S   HC   _H8_    84     1.09622   109.86622    58.87836
   85    82 S   CT   _C4_    85     1.52036   111.49296  -180.00000
   86    85 S   HC   _H4_    86     1.09469   111.00133   -60.25786
   87    85 S   HC   _H5_    87     1.09469   111.00062    60.26177
   88    85 S   HC   _H6_    88     1.09449   110.26129  -180.00000
  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  12   5   4   3
  18   2   1   1  13   5  14   6   5   6   3  10   5   4   6   3
   9   5   4   5   3   9   5   4   3   2   9   5   4   1   1   9
   5   4   9   5   4   9   5   4   9   5   4   9   5   4   9   5
   4   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    57    58    62    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    52    53    57    58    62    63    39    40    41    44    45    46    49  
   35    36  
   36  
    0  
   38    42    43    47    48    52    57    58    62    39    40    41    44  
   42    43    47    57    39  
   40    41    44    45    46    49    50    51    54    42    52    57    58    62  
   41    44    45    46    49    57  
   44    45    46    49    57  
   43    47    48    52    53    57  
   47    48    52  
   45    46    49    50    51    54    55    56    59    57  
   46    49    50    51    54  
   49    50    51    54  
   48    52    53    57    58    62  
   52    53    57  
   50    51    54    55    56    59    60    61    64  
   51    54    55    56    59  
   54    55    56    59  
   53    57    58    62    63  
   57    58    62  
   55    56    59    60    61    64    65    66    67  
   56    59    60    61    64  
   59    60    61    64  
   58    62    63  
   62    63  
   60    61    64    65    66    67    68    69    70  
   61    64    65    66    67  
   64    65    66    67  
   63  
    0  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   250.000  1.523
   42    43   570.000  1.229
   42    47   320.000  1.462
   47    48   340.000  1.080
   47    52   465.000  1.376
   52    53   745.000  1.250
   52    57   270.000  1.512
   57    58   340.000  1.090
   57    62   320.000  1.410
   62    63   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.45000
   33    57    52    70.00000  112.02700
   33    57    58    37.50000  110.70000
   33    57    62    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    80.00000  119.30300
   37    42    47    65.00000  116.00000
   42    37    38    80.00000  119.30300
   42    47    48    40.00000  117.72500
   42    47    52    60.00000  125.92000
   47    42    43    80.00000  123.72100
   47    52    53    65.00000  137.10300
   47    52    57    65.00000  122.18000
   52    47    48    40.00000  120.50800
   52    57    58    45.00000  110.52000
   52    57    62    90.00000  110.39200
   57    33    37    63.00000  111.10000
   57    52    53    85.00000  112.85300
   57    62    63    55.00000  108.50000
   62    57    58    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    57    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    49    58.35000  112.70000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    54    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    57    52   0.56750  1.0 1.0
   29    33    57    52  -0.07550 -1.0 2.0
   29    33    57    52   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    62   0.56750  1.0 1.0
   29    33    57    62  -0.07550 -1.0 2.0
   29    33    57    62   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    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   0.49600 -1.0 2.0
   33    37    42    47   0.43900  1.0 1.0
   33    37    42    47  -0.18150 -1.0 2.0
   33    37    42    47  -0.03650  1.0 3.0
   33    57    62    63  -0.11600  1.0 1.0
   33    57    62    63  -0.09450 -1.0 2.0
   33    57    62    63   0.21250  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    49   0.56750  1.0 1.0
   33    39    44    49  -0.07550 -1.0 2.0
   33    39    44    49   0.20000  1.0 3.0
   37    33    57    52  -0.98800  1.0 1.0
   37    33    57    52   0.48800 -1.0 2.0
   37    33    57    52   0.76800  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    62  -0.09450  1.0 1.0
   37    33    57    62  -1.12950 -1.0 2.0
   37    33    57    62   0.54000  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    44  -0.95700  1.0 1.0
   37    33    39    44  -0.18200 -1.0 2.0
   37    33    39    44   0.29450  1.0 3.0
   37    42    47    48   0.92800 -1.0 2.0
   37    42   -47    52   0.50400  1.0 1.0
   37    42   -47    52   1.60000 -1.0 2.0
   37    42   -47    52  -0.01800  1.0 3.0
   38    37    42    43   0.06100 -1.0 2.0
   38    37    42    47   0.03000  1.0 1.0
   38    37    42    47   0.58800 -1.0 2.0
   38    37    42    47   0.15550  1.0 3.0
   42    47    52    53   7.00000 -1.0 2.0
   42    47    52    57   7.00000 -1.0 2.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    52   1.00000 -1.0 2.0
   47    52   -57    33   0.09850  1.0 1.0
   47    52   -57    33   0.15250 -1.0 2.0
   47    52   -57    33  -0.50650  1.0 3.0
   47    52    57    58   0.00000  1.0 1.0
   47    52    57    62   0.67800  1.0 1.0
   47    52    57    62   0.47050 -1.0 2.0
   47    52    57    62  -0.62500  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    57   7.00000 -1.0 2.0
   52    57    62    63  -0.07800  1.0 1.0
   52    57    62    63  -0.21500 -1.0 2.0
   52    57    62    63  -0.03150  1.0 3.0
   53    52    57    33   0.09700  1.0 1.0
   53    52    57    33   0.15600 -1.0 2.0
   53    52    57    33  -0.50800  1.0 3.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    62   0.09700  1.0 1.0
   53    52    57    62   0.15600 -1.0 2.0
   53    52    57    62  -0.50800  1.0 3.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    42   0.65300  1.0 1.0
   57    33   -37    42  -0.03850 -1.0 2.0
   57    33   -37    42   0.33900  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.56750  1.0 1.0
   57    33    39    44  -0.07550 -1.0 2.0
   57    33    39    44   0.20000  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    57    52   0.34400  1.0 1.0
   39    33    57    52   0.09450 -1.0 2.0
   39    33    57    52   0.11100  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    62   0.86500  1.0 1.0
   39    33    57    62  -0.17500 -1.0 2.0
   39    33    57    62   0.20800  1.0 3.0
   39    44    49    50   0.15000  1.0 3.0
   39    44    49    51   0.15000  1.0 3.0
   39    44    49    54   0.56750  1.0 1.0
   39    44    49    54  -0.07550 -1.0 2.0
   39    44    49    54   0.20000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    49   0.15000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    46   0.15000  1.0 3.0
   41    39    44    49   0.15000  1.0 3.0
   44    49    54    55   0.15000  1.0 3.0
   44    49    54    56   0.15000  1.0 3.0
   44    49    54    59   0.56750  1.0 1.0
   44    49    54    59  -0.07550 -1.0 2.0
   44    49    54    59   0.20000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    54   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    54   0.15000  1.0 3.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    61   0.15000  1.0 3.0
   49    54    59    64   0.56750  1.0 1.0
   49    54    59    64  -0.07550 -1.0 2.0
   49    54    59    64   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    59   0.15000  1.0 3.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   54    59    64    67   0.56750  1.0 1.0
   54    59    64    67  -0.07550 -1.0 2.0
   54    59    64    67   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    64   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    64   0.15000  1.0 3.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.56750  1.0 1.0
   59    64    67    70  -0.07550 -1.0 2.0
   59    64    67    70   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.56750  1.0 1.0
   64    67    70    73  -0.07550 -1.0 2.0
   64    67    70    73   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.56750  1.0 1.0
   70    73    76    79  -0.07550 -1.0 2.0
   70    73    76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  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
   33    42    37    38  10.50000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
   42    48    47    52   1.10000 -1.0 2.0
   57    53    52    47   1.10000 -1.0 2.0
END
