* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    167    246     481
    1     0 S   NP   _N1_     1    29.90511    98.07078   -18.91340
    2     1 S   H    _HN1     2     1.02961    77.67615    24.34561
    3     1 S   H    _H1_     3     1.02835    56.72703   144.46902
    4     1 S   H    _H2_     4     1.02779    72.80623   -89.52474
    5     1 S   CT   _CA1     5     1.50102   167.28757   155.04440
    6     5 S   HC   _HA1     6     1.09573   105.26787    49.64775
    7     5 S   CO3  _C1_     7     1.53975   112.43289   -70.58655
    8     7 S   O2Z  _O11     8     1.26366   114.93600   -42.11588
    9     7 S   O2Z  _O12     9     1.26292   115.07271   137.17410
   10     5 S   CT   _CB1    10     1.53195   107.42167   167.68206
   11    10 S   HC   HB11    11     1.09802   109.72824   -49.76910
   12    10 S   HC   HB12    12     1.09813   110.34893    67.06783
   13    10 S   CT   _CG1    13     1.52773   112.19962  -170.78190
   14    13 S   HC   HG11    14     1.09445   109.95894   -60.13805
   15    13 S   HC   HG12    15     1.09657   110.09788    58.74919
   16    13 S   C    _CD1    16     1.51769   112.99740   179.80119
   17    16 S   O    _OE1    17     1.22629   123.54960    -4.44426
   18    16 S   N    _N2_    18     1.38450   111.04442   175.48963
   19    18 S   H    _HN2    19     1.01767   118.65067     1.63207
   20    18 S   CT1  _CA2    20     1.45938   124.41354  -177.95091
   21    20 S   HC   _HA2    21     1.09723   109.47063   -10.86861
   22    20 S   C    _C2_    22     1.53524   108.13472  -126.27811
   23    22 S   O    _O2_    23     1.23013   122.29414  -146.60727
   24    20 S   CT   _CB2    32     1.53448   110.74965   111.59062
   25    24 S   HC   HB21    33     1.09437   109.92990    48.69291
   26    24 S   HC   HB22    34     1.09497   110.63866   166.68621
   27    22 S   N    _N3_    24     1.38517   113.32181    41.14084
   28    27 S   H    _HN3    25     1.01527   118.83490    -1.84970
   29    24 S   S    _SG2    35     1.83226   111.63503   -75.74489
   30    27 S   CT   _CA3    26     1.45425   123.72066   174.01054
   31    30 S   HC   HA31    27     1.09464   109.46600    18.93569
   32    30 S   HC   HA32    28     1.09468   107.06841   136.22789
   33    29 S   CT   _C18    36     1.86446   101.97348   125.78406
   34    30 S   CO3  _C3_    29     1.52901   113.09946  -104.55100
   35    34 S   O2Z  _O31    30     1.26400   115.44733   -42.54763
   36    34 S   O2Z  _O32    31     1.26359   114.94703   138.38637
   37    33 S   CT   _C17    37     1.54578   110.07080   162.96833
   38    37 S   HC   _H7_    38     1.09666   109.98499   173.90442
   39    33 S   CT   _C19    87     1.53269   107.11799   -78.08440
   40    39 S   HC   _H19    88     1.09277   111.41965    63.63050
   41    39 S   HC   _H20    89     1.09527   112.83033   -58.90974
   42    39 S   HC   _H21    90     1.09685   110.20645  -179.52853
   43    37 S   CO4  _C16    39     1.52001   109.37920   -69.30358
   44    43 S   O    _O43    40     1.23026   122.36511   143.48583
   45    37 S   OH   _O45    85     1.41652   112.43393    54.77168
   46    45 S   HO   _H22    86     0.97301   107.32912  -179.59026
   47    43 S   CT   _C15    41     1.51089   116.13082   -36.10930
   48    47 S   HC   _H17    42     1.09457   107.55410   104.19799
   49    47 S   HC   _H18    43     1.09472   108.26860  -136.99689
   50    47 S   CT   _C14    44     1.52447   109.81274   -16.17467
   51    50 S   HC   _H6_    45     1.09438   107.82086   173.92156
   52    33 S   OS   _O44    46     1.43557   110.67002    37.82563
   53    50 S   OS   _O42    47     1.42444   108.75379   -68.79010
   54    53 S   P2   _P2_    48     1.63328   120.33420  -151.81425
   55    54 S   O2Z  _O41    49     1.51250   107.35905   178.37442
   56    54 S   O2Z  _O40    50     1.51259   108.97351    46.12864
   57    54 S   OS   _O39    51     1.62862    99.49015   -68.28298
   58    57 S   P2   _P1_    52     1.62976   129.61924  -176.48086
   59    58 S   O2Z  _O38    53     1.51284   109.28186   -64.65807
   60    58 S   O2Z  _O37    54     1.51228   108.94220    69.28411
   61    58 S   OS   _O36    55     1.63588    99.21489  -178.38335
   62    61 S   CT   _C13    56     1.41873   118.67141    68.29428
   63    62 S   HC   _H15    57     1.09466   109.51783   -58.88517
   64    62 S   HC   _H16    58     1.09482   109.63077    58.11516
   65    62 S   CT   _C12    59     1.52703   109.52975  -179.66370
   66    65 S   HC   _H5_    60     1.09444   109.70912    54.28259
   67    65 S   CT   _C11    61     1.52525   113.42104   -70.37482
   68    67 S   HC   _H4_    62     1.09318   114.47833    36.14148
   69    67 S   CT   _C10    63     1.51143   102.47429   -87.26039
   70    69 S   HC   _H13    64     1.09620   110.28475    81.33092
   71    69 S   HC   _H14    65     1.09450   114.03591  -156.61313
   72    67 S   OH   _O46    83     1.42737   110.12880   158.28977
   73    72 S   HO   _H23    84     0.97586   108.28034   -56.91572
   74    69 S   CO   _C9_    66     1.52581   101.73618   -36.42169
   75    74 S   HC   _H3_    67     1.09735   109.62972   -84.81610
   76    74 S   N*   _N4_    68     1.46552   113.02596   154.13631
   77    65 S   OS   _O35    82     1.44209   108.08426   172.17978
   78    76 S   CM   _C6_    69     1.38189   120.50340   -91.85907
   79    78 S   HC   _H11    70     1.08427   116.54954    -1.25367
   80    78 S   CM   _C5_    71     1.33858   123.69152   179.12732
   81    80 S   C    _C8_    72     1.48435   118.38325    -0.65611
   82    81 S   O    _O34    73     1.22765   121.76561  -179.84298
   83    80 S   CT   _C4_    78     1.49448   123.62975   179.14362
   84    83 S   HC   _H8_    79     1.09481   110.47861   119.72424
   85    83 S   HC   _H9_    80     1.09524   111.89364    -0.27695
   86    83 S   HC   _H10    81     1.09490   110.43949  -120.14654
   87    81 S   NNB  _N5_    74     1.38162   114.95491    -0.22728
   88    87 S   H    _H12    75     1.01444   116.64523  -179.72589
   89    76 S   C    _C7_    76     1.40204   118.20885    85.63336
   90    89 S   O    _O33    77     1.23247   124.30445     0.65909
  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  11   5   4   3
  15   2   1   1  14   7   7   3   2   1  10   5   3   1   7   5
   4   7   3   2   5   7   3   2   5   7   3   2   7  10   5   4
  12   6  10   7  10   6   5   3   1   9   4  10   2  11   4   9
   9   4   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    50    52    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    50    51    52    53    45    46    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    49    50    52    45    46    39    40    41    42  
   43    44    47    52    45    46    39  
   40    41    42    43    45    50    52  
   41    42    52  
   42    52  
   52  
   44    47    48    49    50    51    52    53    45    46  
   47    48    49    50    45  
   46    47    52  
    0  
   48    49    50    51    52    53    54  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54  
   54    55    56    57    58  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58    59    60    61    62  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62    63    64    65    66    67    77  
   63    64    65    66    67    68    69    74    77    72  
   64    65    66    67    77  
   65    66    67    77  
   66    67    68    69    70    71    74    75    76    77    72    73  
   67    68    69    74    77    72  
   68    69    70    71    74    75    76    77    72    73  
   69    70    71    74    77    72    73  
   70    71    74    75    76    78    89    77    72    73  
   71    74    75    76    77    72  
   74    75    76    77    72  
   73    74    77  
    0  
   75    76    78    79    80    87    89    90    77  
   76    78    89    77  
   78    79    80    81    87    88    89    90    83    77  
   78    89  
   79    80    81    82    87    89    90    83    84    85    86  
   80    81    89    83  
   81    82    87    88    89    83    84    85    86  
   82    87    88    89    90    83    84    85    86  
   87    88    89    83  
   84    85    86    87  
   85    86  
   86  
    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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.348900   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.392500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   2.8500   0.1400  -0.632500   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   76   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   83   3.5000   0.0800  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   87   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   88   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   89   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    52   320.000  1.410
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   320.000  1.410
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   320.000  1.410
   50    53   320.000  1.410
   53    54   230.000  1.697
   54    55   525.000  1.480
   54    56   525.000  1.480
   54    57   230.000  1.697
   57    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    61   230.000  1.697
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    77   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   250.000  1.527
   74    75   340.000  1.090
   74    76   275.000  1.479
   74    77   320.000  1.380
   76    78   448.000  1.365
   76    89   418.000  1.388
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   410.000  1.444
   80    83   317.000  1.510
   81    82   570.000  1.229
   81    87   418.000  1.388
   87    88   434.000  1.010
   87    89   418.000  1.388
   89    90   570.000  1.229
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   72    73   553.000  0.945
   45    46   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    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  111.63000
   29    33    52    85.00000  114.68000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    50.00000  109.50000
   33    52    50    60.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.00000
   37    45    46    55.00000  108.50000
   43    37    38    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    63.00000  111.10000
   47    43    44    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    50.00000  109.50000
   47    50    53    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54   100.00000  120.50000
   52    33    37    50.00000  109.50000
   52    50    51    35.00000  109.50000
   53    50    51    35.00000  109.50000
   53    50    52   110.00000  112.65000
   53    54    55   100.00000  108.23000
   53    54    56   100.00000  108.23000
   53    54    57    45.00000  102.60000
   54    57    58    50.00000  132.62000
   56    54    55   140.00000  119.90000
   57    54    55   100.00000  108.23000
   57    54    56   100.00000  108.23000
   57    58    59   100.00000  108.23000
   57    58    60   100.00000  108.23000
   57    58    61    45.00000  102.60000
   58    61    62   100.00000  120.50000
   60    58    59   140.00000  119.90000
   61    58    59   100.00000  108.23000
   61    58    60   100.00000  108.23000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    50.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    77    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    72    50.00000  109.50000
   65    77    74    60.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    74    75.00000  109.43000
   67    72    73    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    74    75    45.00000  112.01100
   69    74    76    75.00000  107.44000
   69    74    77    90.00000  108.56700
   71    69    70    33.00000  107.80000
   74    69    70    45.00000  108.72000
   74    69    71    45.00000  108.72000
   74    76    78    70.00000  121.20000
   74    76    89    70.00000  117.60000
   76    74    75    55.00000  103.44000
   76    78    79    35.00000  119.10000
   76    78    80    70.00000  121.20000
   76    89    87    70.00000  118.60000
   76    89    90    80.00000  120.60000
   78    80    81    70.00000  118.70000
   78    80    83    70.00000  124.00000
   80    78    79    35.00000  120.00000
   80    81    82    80.00000  125.30000
   80    81    87    70.00000  114.10000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    86    35.00000  109.50000
   81    87    88    35.00000  116.80000
   81    87    89    70.00000  126.40000
   87    81    82    80.00000  120.60000
   87    89    90    80.00000  120.60000
   89    76    78    70.00000  121.60000
   89    87    88    35.00000  116.80000
   83    80    81    70.00000  119.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    65    66    35.00000  109.50000
   77    65    67    50.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76   105.00000  106.22000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   45    37    38    35.00000  109.50000
   45    37    43    90.00000  109.61100
   39    33    37    58.35000  112.70000
   39    33    52    50.00000  109.50000
   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    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    52   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   0.57400  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   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    52    50   0.14700  1.0 1.0
   29    33    52    50  -1.16150 -1.0 2.0
   29    33    52    50   0.48700  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    37    43    44   0.30150 -1.0 2.0
   33    37    43    47   0.60050  1.0 1.0
   33    37    43    47   0.05600 -1.0 2.0
   33    37    43    47   0.26150  1.0 3.0
   33    37    45    46  -0.11600  1.0 1.0
   33    37    45    46  -0.09450 -1.0 2.0
   33    37    45    46   0.21250  1.0 3.0
   37    33    52    50   0.06250  1.0 1.0
   37    33    52    50  -0.01100 -1.0 2.0
   37    33    52    50   0.28050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    48   0.00000  1.0 1.0
   37    43    47    49   0.00000  1.0 1.0
   37    43   -47    50   0.60050  1.0 1.0
   37    43   -47    50   0.05600 -1.0 2.0
   37    43   -47    50   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    47   0.00000  1.0 1.0
   38    37    45    46   0.19450  1.0 3.0
   43    37    45    46   0.91850  1.0 1.0
   43    37    45    46   0.57950  1.0 3.0
   43    47    50    51  -0.11250  1.0 3.0
   43    47    50    52  -0.09450  1.0 1.0
   43    47    50    52  -1.12950 -1.0 2.0
   43    47    50    52   0.54000  1.0 3.0
   43    47    50    53  -0.09450  1.0 1.0
   43    47    50    53  -1.12950 -1.0 2.0
   43    47    50    53   0.54000  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    50   0.30150 -1.0 2.0
   47    50   -52    33   0.06250  1.0 1.0
   47    50   -52    33  -0.01100 -1.0 2.0
   47    50   -52    33   0.28050  1.0 3.0
   47    50    53    54  -2.65550  1.0 1.0
   47    50    53    54  -0.22350 -1.0 2.0
   47    50    53    54   0.24150  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.23400  1.0 3.0
   48    47    50    53   0.23400  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   49    47    50    53   0.23400  1.0 3.0
   50    53    54    55   0.00000  1.0 1.0
   50    53    54    56   0.00000  1.0 1.0
   50    53    54    57   0.05050  1.0 1.0
   50    53    54    57  -1.30700 -1.0 2.0
   50    53    54    57   0.91550  1.0 3.0
   51    50    52    33   0.37050  1.0 3.0
   51    50    53    54   0.03000  1.0 3.0
   52    33    37    38   0.23400  1.0 3.0
   52    33   -37    43  -0.09450  1.0 1.0
   52    33   -37    43  -1.12950 -1.0 2.0
   52    33   -37    43   0.54000  1.0 3.0
   52    33    37    45   3.69350  1.0 1.0
   52    33    37    45  -1.82950 -1.0 2.0
   52    33    39    40   0.23400  1.0 3.0
   52    33    39    41   0.23400  1.0 3.0
   52    33    39    42   0.23400  1.0 3.0
   52    50    53    54   0.37500  1.0 3.0
   53    50    52    33  -0.81800  1.0 1.0
   53    54    57    58   0.15000  1.0 3.0
   54    57    58    59   0.50000  1.0 3.0
   54    57    58    60   0.50000  1.0 3.0
   54    57    58    61   0.15000  1.0 3.0
   55    54    57    58   0.50000  1.0 3.0
   56    54    57    58   0.50000  1.0 3.0
   57    58    61    62   0.05050  1.0 1.0
   57    58    61    62  -1.30700 -1.0 2.0
   57    58    61    62   0.91550  1.0 3.0
   58    61    62    63   0.03000  1.0 3.0
   58    61    62    64   0.03000  1.0 3.0
   58    61    62    65  -2.65550  1.0 1.0
   58    61    62    65  -0.22350 -1.0 2.0
   58    61    62    65   0.24150  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   61    62    65    66   0.23400  1.0 3.0
   61    62    65    67   0.62750  1.0 1.0
   61    62    65    67  -0.30950 -1.0 2.0
   61    62    65    67   0.27300  1.0 3.0
   61    62    65    77   1.11900  1.0 1.0
   61    62    65    77  -1.16350 -1.0 2.0
   61    62    65    77  -0.34150  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.56750  1.0 1.0
   62    65    67    69  -0.07550 -1.0 2.0
   62    65    67    69   0.20000  1.0 3.0
   62    65    67    72   0.86500  1.0 1.0
   62    65    67    72  -0.17500 -1.0 2.0
   62    65    67    72   0.20800  1.0 3.0
   62    65    77    74   0.06250  1.0 1.0
   62    65    77    74  -0.01100 -1.0 2.0
   62    65    77    74   0.28050  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    77   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    77   0.23400  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    71   0.15000  1.0 3.0
   65    67   -69    74   3.97050  1.0 1.0
   65    67    72    73  -0.11600  1.0 1.0
   65    67    72    73  -0.09450 -1.0 2.0
   65    67    72    73   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.23400  1.0 3.0
   66    65    77    74   0.37050  1.0 3.0
   67    65   -77    74   0.06250  1.0 1.0
   67    65   -77    74  -0.01100 -1.0 2.0
   67    65   -77    74   0.28050  1.0 3.0
   67    69    74    75   0.15000  1.0 3.0
   67    69    74    76  -0.27100  1.0 1.0
   67    69    74    76  -0.01700 -1.0 2.0
   67    69    74    76  -0.48600  1.0 3.0
   67    69   -74    77   0.62750  1.0 1.0
   67    69   -74    77  -0.30950 -1.0 2.0
   67    69   -74    77   0.27300  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    74   0.15000  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   69    67    72    73  -0.11600  1.0 1.0
   69    67    72    73  -0.09450 -1.0 2.0
   69    67    72    73   0.21250  1.0 3.0
   69    74    76    78   2.08450  1.0 1.0
   69    74    76    78  -0.39300 -1.0 2.0
   69    74    76    78   0.23400  1.0 3.0
   69    74    76    89  -0.43950  1.0 1.0
   69    74    76    89  -0.08100 -1.0 2.0
   69    74    76    89   0.03350  1.0 3.0
   69    74   -77    65   0.06250  1.0 1.0
   69    74   -77    65  -0.01100 -1.0 2.0
   69    74   -77    65   0.28050  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.23400  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    76   0.15000  1.0 3.0
   71    69    74    77   0.23400  1.0 3.0
   74    76    78    79   1.88100 -1.0 2.0
   74    76    78    80  -0.88150  1.0 1.0
   74    76    78    80   2.95600 -1.0 2.0
   74    76    89    87   3.62500 -1.0 2.0
   74    76    89    90   3.04450 -1.0 2.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    89   0.00000  1.0 1.0
   75    74    77    65   0.37050  1.0 3.0
   76    74    77    65  -2.37750  1.0 1.0
   76    74    77    65  -0.08150 -1.0 2.0
   76    74    77    65   0.59000  1.0 3.0
   76    78    80    81   7.00000 -1.0 2.0
   76    78    80    83   7.00000 -1.0 2.0
   78    76    89    87   3.62500 -1.0 2.0
   78    76    89    90   2.67200 -1.0 2.0
   78    80    81    82   1.00000 -1.0 2.0
   78    80   -81    87   1.50000 -1.0 2.0
   78    80    83    84   0.00000  1.0 1.0
   78    80    83    85   0.00000  1.0 1.0
   78    80    83    86   0.00000  1.0 1.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    83   7.00000 -1.0 2.0
   80    81    87    88   1.52500 -1.0 2.0
   80    81    87    89   7.00000 -1.0 2.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   81    87   -89    76   3.00000 -1.0 2.0
   81    87    89    90   3.04450 -1.0 2.0
   82    81    87    88   2.45000 -1.0 2.0
   82    81    87    89   3.04450 -1.0 2.0
   88    87    89    76   2.56700 -1.0 2.0
   88    87    89    90   2.45000 -1.0 2.0
   89    76    78    79   1.44600  1.0 1.0
   89    76   -78    80  -0.18900  1.0 1.0
   89    76   -78    80   1.70900 -1.0 2.0
   83    80    81    82  -0.64400  1.0 1.0
   83    80    81    82   0.26850 -1.0 2.0
   83    80    81    87   1.50000 -1.0 2.0
   77    65    67    68   0.23400  1.0 3.0
   77    65   -67    69   0.62750  1.0 1.0
   77    65   -67    69  -0.30950 -1.0 2.0
   77    65   -67    69   0.27300  1.0 3.0
   77    65    67    72   3.69350  1.0 1.0
   77    65    67    72  -1.82950 -1.0 2.0
   77    74    76    78  -0.28000  1.0 1.0
   77    74    76    78  -1.16550 -1.0 2.0
   77    74    76    89  -2.75650  1.0 1.0
   77    74    76    89  -1.18150 -1.0 2.0
   77    74    76    89   0.81900  1.0 3.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    74   0.86500  1.0 1.0
   72    67    69    74  -0.17500 -1.0 2.0
   72    67    69    74   0.20800  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    47   0.55300  1.0 1.0
   45    37    43    47   1.25850 -1.0 2.0
   45    37    43    47  -0.23600  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.86500  1.0 1.0
   39    33    37    45  -0.17500 -1.0 2.0
   39    33    37    45   0.20800  1.0 3.0
   39    33    52    50   0.06250  1.0 1.0
   39    33    52    50  -0.01100 -1.0 2.0
   39    33    52    50   0.28050  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
   37    47    43    44  10.50000 -1.0 2.0
   78    89    76    74   1.00000 -1.0 2.0
   76    79    78    80   1.10000 -1.0 2.0
   81    83    80    78   1.10000 -1.0 2.0
   80    87    81    82  10.50000 -1.0 2.0
   88    81    87    89   1.00000 -1.0 2.0
   76    87    89    90  10.50000 -1.0 2.0
END
