* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    173    256     499
    1     0 S   NP   _N1_     1    29.23573    94.24650   -18.31805
    2     1 S   H    _HN1     2     1.02785    74.59840   -61.25855
    3     1 S   H    _H1_     3     1.02962   106.02720    43.78411
    4     1 S   H    _H2_     4     1.02842    35.76944   140.89033
    5     1 S   CT   _CA1     5     1.50104   137.60965  -167.50513
    6     5 S   HC   _HA1     6     1.09578   105.27624    29.82098
    7     5 S   CO3  _C1_     7     1.53806   112.26599   -90.34962
    8     7 S   O2Z  _O11     8     1.26335   115.07722   -47.40967
    9     7 S   O2Z  _O12     9     1.26236   114.92378   131.93061
   10     5 S   CT   _CB1    10     1.53102   107.39699   147.58554
   11    10 S   HC   HB11    11     1.09812   109.34482   -51.86205
   12    10 S   HC   HB12    12     1.09803   110.39242    64.58351
   13    10 S   CT   _CG1    13     1.53016   112.68270  -173.09556
   14    13 S   HC   HG11    14     1.09453   110.17538   -59.68587
   15    13 S   HC   HG12    15     1.09606   110.31130    59.39178
   16    13 S   C    _CD1    16     1.51749   111.99575   179.44398
   17    16 S   O    _OE1    17     1.22760   122.92194   -20.41871
   18    16 S   N    _N2_    18     1.38614   111.94518   160.56416
   19    18 S   H    _HN2    19     1.01586   119.13483     0.74756
   20    18 S   CT1  _CA2    20     1.46308   123.36535  -177.69939
   21    20 S   HC   _HA2    21     1.09740   109.21868   -18.03238
   22    20 S   C    _C2_    22     1.53390   108.32202  -133.75857
   23    22 S   O    _O2_    23     1.23001   122.30678  -146.06827
   24    20 S   CT   _CB2    32     1.53562   111.42988   104.02692
   25    24 S   HC   HB21    33     1.09497   109.59938    56.97000
   26    24 S   HC   HB22    34     1.09510   110.49772   175.13659
   27    22 S   N    _N3_    24     1.38531   113.29005    41.30241
   28    27 S   H    _HN3    25     1.01535   118.89315    -0.52675
   29    24 S   S    _SG2    35     1.82929   111.34080   -65.94188
   30    27 S   CT   _CA3    26     1.45452   123.47105   175.18200
   31    30 S   HC   HA31    27     1.09522   109.25799    23.73339
   32    30 S   HC   HA32    28     1.09496   107.10630   140.74024
   33    29 S   CT   _C24    36     1.87362   100.83762   136.71079
   34    33 S   HC   _H5_    37     1.08851   104.01178   -27.08925
   35    30 S   CO3  _C3_    29     1.52927   113.14445   -99.76441
   36    35 S   O2Z  _O31    30     1.26402   115.42834   -43.78413
   37    35 S   O2Z  _O32    31     1.26359   114.97169   137.17776
   38    33 S   CT   _C23    38     1.54308   109.52189    87.78686
   39    38 S   HC   _H4_    39     1.09765   109.30983  -179.54500
   40    38 S   CO4  _C22    40     1.52171   108.41430    63.61980
   41    40 S   O    _O36    41     1.22819   123.55732  -141.17921
   42    38 S   OS   _O37    87     1.42152   110.22081   -60.05302
   43    40 S   CM   _C21    42     1.48287   116.79841    41.28788
   44    43 S   HC   _H27    43     1.08483   116.20620   167.81249
   45    42 S   CT   _C25    88     1.42123   113.30255  -151.03142
   46    45 S   HC   _H28    89     1.09329   108.24097  -177.14378
   47    45 S   HC   _H29    90     1.09435   110.23963    64.42289
   48    45 S   HC   _H30    91     1.09349   111.21837   -57.93873
   49    43 S   CM   _C20    44     1.34744   121.40503    -7.19476
   50    49 S   CT   _C19    45     1.52031   118.95008   170.91139
   51    50 S   HC   _H3_    46     1.10022   108.44995    13.99387
   52    33 S   CT   _C7_    60     1.60041   114.42705  -147.82932
   53    50 S   CT   _C18    47     1.54422   111.22480  -100.68682
   54    53 S   HC   _H25    48     1.09754   112.27876  -115.11033
   55    53 S   HC   _H26    49     1.09922   107.53342   130.40957
   56    52 S   CT   _C6_    61     1.56805   111.47336    42.17427
   57    56 S   HC   _H11    62     1.09065   112.22301    68.12909
   58    56 S   HC   _H12    63     1.09382   111.27258   -48.43336
   59    50 S   NT   _N4_    67     1.47358   115.03008   133.60898
   60    53 S   CT   _C17    50     1.52745   114.42694    10.06220
   61    60 S   HC   _H23    51     1.09858   105.80863   163.12793
   62    60 S   HC   _H24    52     1.09532   113.12693    49.49018
   63    56 S   CT   _C5_    64     1.53115   113.87586  -168.39087
   64    63 S   HC   _H9_    65     1.09715   109.46439   179.11331
   65    63 S   HC   _H10    66     1.09588   109.70692   -66.44606
   66    59 S   CT   _C4_    68     1.46371   111.90080   -77.37362
   67    66 S   HC   _H6_    69     1.09588   110.22640   -61.39492
   68    66 S   HC   _H7_    70     1.09575   110.60434  -178.60549
   69    66 S   HC   _H8_    71     1.09478   113.29239    59.62226
   70    60 S   CA   _C9_    53     1.51971   113.44532   -76.90976
   71    70 S   CA   _C10    54     1.42069   113.95956  -127.51890
   72    71 S   HA   _H13    55     1.08757   118.06539    -0.93419
   73    71 S   CA   _C11    56     1.38953   122.41304   179.47623
   74    73 S   CA   _C12    57     1.39092   117.99800    -1.12640
   75    73 S   OS   _O35    82     1.36923   125.53008   178.91448
   76    74 S   CA   _C13    58     1.41017   121.12941    -2.08384
   77    74 S   OS   _O34    77     1.37582   118.14651   179.19158
   78    75 S   CT   _C16    83     1.42212   117.37894    -0.05595
   79    78 S   HC   _H20    84     1.09428   107.74198  -179.84174
   80    78 S   HC   _H21    85     1.09496   111.13386    62.44179
   81    78 S   HC   _H22    86     1.09497   111.14332   -62.12132
   82    70 S   CA   _C8_    59     1.42710   125.83879    52.50147
   83    76 S   OS   _O33    72     1.37772   118.90960  -176.22701
   84    77 S   CT   _C15    78     1.42878   110.11301   -96.39829
   85    84 S   HC   _H17    79     1.09402   107.75941   177.52535
   86    84 S   HC   _H18    80     1.09564   111.28710    59.25642
   87    84 S   HC   _H19    81     1.09522   111.34860   -64.22749
   88    83 S   CT   _C14    73     1.43049   113.06356    61.79280
   89    88 S   HC   _H14    74     1.09288   107.53323   150.39064
   90    88 S   HC   _H15    75     1.09601   112.55518    31.54873
   91    88 S   HC   _H16    76     1.09328   110.56595   -92.86704
  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
  18   8   2   1   1  14   6   8   4   6   9   3   3   2   1   1
  16  19   8  15  11   6   5  10   6   5   8   8   4   3   7   2
   1   3   2   1   1   8   8   4  11  11   6   8   6   3   2   1
   1   2   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    82    52    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    70    76    82    52    56    57    58    63    42    45  
   38    39    40    49    82    52    56    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    82    52    56    42    45    46    47    48  
   40    41    43    52    42    45  
   41    43    44    49    50    52    42    45  
   43    44    49    42  
   45    46    47    48    43    52  
   44    49    50    51    53    82    52    56    59  
   49    50    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    60    70    76    82    52    56    57    58    63    59    66  
   51    53    54    55    60    61    62    70    82    52    56    63    64    65    59    66    67    68    69  
   53    54    55    60    52    63    59    66  
   56    57    58    63    64    65    59    83    53    60    70    71    74    76    82  
   54    55    60    61    62    70    71    82    63    59    66  
   55    60    61    62    70    59  
   60    61    62    70    59  
   57    58    63    64    65    59    66    70    76    82  
   58    63    64    65    59    82  
   63    64    65    59    82  
   66    67    68    69    60    63    64    65  
   61    62    70    71    72    73    76    82  
   62    70    71    82  
   70    71    82  
   64    65    66    67    68    69    82  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    76    82    83    75  
   72    73    74    76    82    77    75    78  
   73    74    82    75  
   74    76    82    83    77    84    75    78    79    80    81  
   76    82    83    88    77    84    85    86    87    75    78  
   78    79    80    81    76    77  
   82    83    88    89    90    91    77    84  
   84    85    86    87    82    83  
   79    80    81  
   80    81  
   81  
    0  
   83    88  
   88    89    90    91  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91  
   90    91  
   91  
    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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   320.000  1.462
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   317.000  1.510
   70    71   469.000  1.400
   70    82   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    82   469.000  1.400
   76    83   450.000  1.364
   82    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    59   382.000  1.448
   59    66   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   83    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   77    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   75    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    52    49    70.00000  112.02700
   33    52    82    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    65.00000  118.62400
   38    42    45    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    40.00000  117.72500
   40    43    49    65.00000  118.96000
   43    40    41    80.00000  123.72100
   43    49    50    70.00000  124.00000
   43    49    52    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.70900
   49    52    82    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    59    63    51.80000  107.20000
   50    59    66    51.80000  107.20000
   53    50    51    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    70    70.00000  112.17500
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    70    71    70.00000  120.00000
   60    70    82    70.00000  120.00000
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    82    76    63.00000  120.00000
   70    82    52    70.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    78    75.00000  111.00000
   74    76    82    63.00000  120.00000
   74    76    83    70.00000  120.00000
   74    77    84    75.00000  111.00000
   76    82    52    70.00000  120.00000
   76    83    88    75.00000  111.00000
   82    70    71    63.00000  120.00000
   82    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    63    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    59    56.20000  109.47000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    59    66    51.80000  107.20000
   65    63    64    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    56.20000  109.47000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   83    76    82    70.00000  120.00000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   77    74    76    70.00000  120.00000
   77    84    85    35.00000  109.50000
   77    84    86    35.00000  109.50000
   77    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    82   0.56750  1.0 1.0
   29    33    52    82  -0.07550 -1.0 2.0
   29    33    52    82   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.65300  1.0 1.0
   33    38    40    43  -0.03850 -1.0 2.0
   33    38    40    43   0.33900  1.0 3.0
   33    38    42    45   0.06250  1.0 1.0
   33    38    42    45  -0.01100 -1.0 2.0
   33    38    42    45   0.28050  1.0 3.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    63   0.56750  1.0 1.0
   33    52    56    63  -0.07550 -1.0 2.0
   33    52    56    63   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    82   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.34400  1.0 1.0
   38    33    52    49   0.09450 -1.0 2.0
   38    33    52    49   0.11100  1.0 3.0
   38    33    52    82  -0.03700  1.0 1.0
   38    33    52    82   0.37200 -1.0 2.0
   38    33    52    82  -0.47300  1.0 3.0
   38    33    52    56   0.56750  1.0 1.0
   38    33    52    56  -0.07550 -1.0 2.0
   38    33    52    56   0.20000  1.0 3.0
   38    40    43    44   0.04550  1.0 1.0
   38    40    43    44   0.83000 -1.0 2.0
   38    40    43    44  -0.04000  1.0 3.0
   38    40   -43    49  -0.33500  1.0 1.0
   38    40   -43    49   1.06600 -1.0 2.0
   38    40   -43    49  -0.14000  1.0 3.0
   38    42    45    46   0.37050  1.0 3.0
   38    42    45    47   0.37050  1.0 3.0
   38    42    45    48   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    45   0.37050  1.0 3.0
   40    38    42    45  -1.11000  1.0 1.0
   40    38    42    45   0.50250 -1.0 2.0
   40    38    42    45   0.47450  1.0 3.0
   40    43    49    50   7.00000 -1.0 2.0
   40    43    49    52   7.00000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    49   1.00000 -1.0 2.0
   43    49    50    51   0.00000  1.0 1.0
   43    49    50    53   0.09850  1.0 1.0
   43    49    50    53   0.15250 -1.0 2.0
   43    49    50    53  -0.50650  1.0 3.0
   43    49    50    59   0.90200  1.0 1.0
   43    49    50    59   0.57900 -1.0 2.0
   43    49    50    59  -0.62100  1.0 3.0
   43    49   -52    33   0.09850  1.0 1.0
   43    49   -52    33   0.15250 -1.0 2.0
   43    49   -52    33  -0.50650  1.0 3.0
   43    49    52    82   1.44450  1.0 1.0
   43    49    52    82   0.06600 -1.0 2.0
   43    49    52    82   0.29250  1.0 3.0
   43    49    52    56   0.09850  1.0 1.0
   43    49    52    56   0.15250 -1.0 2.0
   43    49    52    56  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    60   0.34400  1.0 1.0
   49    50    53    60   0.09450 -1.0 2.0
   49    50    53    60   0.11100  1.0 3.0
   49    50    59    63  -0.60800  1.0 1.0
   49    50    59    63   1.10050 -1.0 2.0
   49    50    59    63   0.47000  1.0 3.0
   49    50    59    66  -0.60800  1.0 1.0
   49    50    59    66   1.10050 -1.0 2.0
   49    50    59    66   0.47000  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    63   0.34400  1.0 1.0
   49    52   -56    63   0.09450 -1.0 2.0
   49    52   -56    63   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    82   0.09700  1.0 1.0
   50    49    52    82   0.15600 -1.0 2.0
   50    49    52    82  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    70  -0.03700  1.0 1.0
   50    53    60    70   0.37200 -1.0 2.0
   50    53    60    70  -0.47300  1.0 3.0
   50    59    66    67   0.28000  1.0 3.0
   50    59    66    68   0.28000  1.0 3.0
   50    59    66    69   0.28000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    59    63   0.28000  1.0 3.0
   51    50    59    66   0.28000  1.0 3.0
   53    50    59    63   0.23450  1.0 1.0
   53    50    59    63   0.02050 -1.0 2.0
   53    50    59    63   0.25250  1.0 3.0
   53    50    59    66   0.23450  1.0 1.0
   53    50    59    66   0.02050 -1.0 2.0
   53    50    59    66   0.25250  1.0 3.0
   53    60    70    71   0.04150 -1.0 2.0
   53    60    70    82   0.04150 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    70   0.43200  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    70   0.43200  1.0 3.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    82    76   3.62500 -1.0 2.0
   60    70    82    52   3.62500 -1.0 2.0
   61    60    70    71   0.00000  1.0 1.0
   61    60    70    82   0.00000  1.0 1.0
   62    60    70    71   0.00000  1.0 1.0
   62    60    70    82   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   70    82    52    33   0.04150 -1.0 2.0
   70    82    52    49   0.18050 -1.0 2.0
   70    82    52    56   0.04150 -1.0 2.0
   71    70    82    76   3.62500 -1.0 2.0
   71    70    82    52   3.62500 -1.0 2.0
   71    73   -74    76   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    75    78   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74    76    82   3.62500 -1.0 2.0
   73    74    76    83   3.62500 -1.0 2.0
   73    74    77    84   1.63200 -1.0 2.0
   73    75    78    79   0.08050  1.0 3.0
   73    75    78    80   0.08050  1.0 3.0
   73    75    78    81   0.08050  1.0 3.0
   74    73    75    78   1.63200 -1.0 2.0
   74    76   -82    70   3.62500 -1.0 2.0
   74    76    82    52   3.62500 -1.0 2.0
   74    76    83    88   1.63200 -1.0 2.0
   74    77    84    85   0.08050  1.0 3.0
   74    77    84    86   0.08050  1.0 3.0
   74    77    84    87   0.08050  1.0 3.0
   76    74    77    84   1.63200 -1.0 2.0
   76    82    52    33   0.04150 -1.0 2.0
   76    82    52    49   0.18050 -1.0 2.0
   76    82    52    56   0.04150 -1.0 2.0
   76    83    88    89   0.08050  1.0 3.0
   76    83    88    90   0.08050  1.0 3.0
   76    83    88    91   0.08050  1.0 3.0
   82    70    71    72   3.62500 -1.0 2.0
   82    70   -71    73   3.62500 -1.0 2.0
   82    76    83    88   1.63200 -1.0 2.0
   82    52    56    57   0.43200  1.0 3.0
   82    52    56    58   0.43200  1.0 3.0
   82    52    56    63  -0.03700  1.0 1.0
   82    52    56    63   0.37200 -1.0 2.0
   82    52    56    63  -0.47300  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.95700  1.0 1.0
   52    33   -38    40  -0.18200 -1.0 2.0
   52    33   -38    40   0.29450  1.0 3.0
   52    33    38    42   0.62750  1.0 1.0
   52    33    38    42  -0.30950 -1.0 2.0
   52    33    38    42   0.27300  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    53   0.46850  1.0 1.0
   52    49    50    53   0.08550 -1.0 2.0
   52    49    50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    65   0.15000  1.0 3.0
   52    56   -63    59   1.53400  1.0 1.0
   52    56   -63    59  -0.09950 -1.0 2.0
   52    56   -63    59   0.05700  1.0 3.0
   56    63   -59    50   0.23450  1.0 1.0
   56    63   -59    50   0.02050 -1.0 2.0
   56    63   -59    50   0.25250  1.0 3.0
   56    63    59    66   0.58650  1.0 1.0
   56    63    59    66   0.12600 -1.0 2.0
   56    63    59    66   0.33350  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    59   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    59   0.15000  1.0 3.0
   63    59    66    67   0.28000  1.0 3.0
   63    59    66    68   0.28000  1.0 3.0
   63    59    66    69   0.28000  1.0 3.0
   64    63    59    50   0.28000  1.0 3.0
   64    63    59    66   0.28000  1.0 3.0
   65    63    59    50   0.28000  1.0 3.0
   65    63    59    66   0.28000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    55   0.15000  1.0 3.0
   59    50    53    60   1.53400  1.0 1.0
   59    50    53    60  -0.09950 -1.0 2.0
   59    50    53    60   0.05700  1.0 3.0
   83    76    82    70   3.62500 -1.0 2.0
   83    76    82    52   3.62500 -1.0 2.0
   77    74    76    82   3.62500 -1.0 2.0
   77    74    76    83   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.65300  1.0 1.0
   42    38    40    43  -0.03850 -1.0 2.0
   42    38    40    43   0.33900  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    43    40    41  10.50000 -1.0 2.0
   40    44    43    49   1.10000 -1.0 2.0
   50    52    49    43   1.10000 -1.0 2.0
   71    82    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   82    83    76    74   4.00000 -1.0 2.0
   76    52    82    70   4.00000 -1.0 2.0
END
