* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    159    218     454
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02098   105.79227    -1.76392
    3     1 S   H    _H1_     3     1.02092    48.70330    99.44194
    4     1 S   H    _H2_     4     1.02093    63.75850  -105.18583
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.83969    97.62819   161.83958
   34    33 S   HC   _H16    37     1.09594   105.14151   -38.35498
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C11    38     1.53711   109.38781    80.03515
   39    38 S   HC   _H5_    39     1.09823   110.96623    49.12915
   40    38 S   CT   _C10    40     1.53481   112.89567   171.82298
   41    40 S   HC   _H4_    41     1.09651   110.80959    74.34924
   42    38 S   OS   _O44    84     1.43096   108.69458   -68.34409
   43    40 S   CT   _C9_    42     1.53105   111.98596   -50.45643
   44    43 S   HC   _H15    43     1.09726   110.02869   -68.13770
   45    40 S   OH   _O48    82     1.43134   107.45870  -170.13337
   46    45 S   HO   _H18    83     0.96784   106.16767    61.58572
   47    42 S   P3   _P3_    85     1.64736   118.40112   157.21845
   48    47 S   O2Z  _O46    86     1.52522   103.21336   179.98022
   49    47 S   O2Z  _O47    87     1.52625   104.88753    60.33889
   50    47 S   O2Z  _O45    88     1.52560   104.84790   -60.42280
   51    43 S   CT   _C14    44     1.52809   111.44200    54.24840
   52    51 S   HC   _H7_    45     1.09625   110.68046   178.92262
   53    43 S   OS   _O38    55     1.42653   109.92962   174.39150
   54    33 S   CT   _C13    46     1.53785   109.48065  -156.94528
   55    54 S   HC   _H6_    47     1.09714   110.51521   -54.20363
   56    51 S   OH   _O39    53     1.43067   108.82322    62.46375
   57    56 S   HO   _H17    54     0.96806   106.22931   -60.08116
   58    53 S   P2   _P1_    56     1.63263   118.92812   160.03292
   59    58 S   O2Z  _O37    57     1.51455   109.28722  -159.96474
   60    58 S   O2Z  _O36    58     1.51392   107.93172   -27.55582
   61    54 S   OS   _O40    48     1.42712   109.67649    64.52152
   62    58 S   OS   _O35    59     1.63601   100.14320    86.49559
   63    61 S   P3   _P2_    49     1.64839   118.50809  -158.21644
   64    63 S   O2Z  _O42    50     1.52498   103.36447  -179.93439
   65    63 S   O2Z  _O43    51     1.52607   104.82027    60.36940
   66    63 S   O2Z  _O41    52     1.52620   104.81940   -60.30637
   67    62 S   CT   _C8_    60     1.41825   119.23602    74.29032
   68    67 S   HC   _H13    61     1.09357   108.08301   -58.02939
   69    67 S   HC   _H14    62     1.09472   107.25639    59.15613
   70    67 S   CT   _C7_    63     1.52475   109.85294   180.00000
   71    70 S   HC   _H3_    64     1.09674   111.15375    55.90489
   72    70 S   CT   _C6_    65     1.52270   111.45066   179.77619
   73    72 S   HC   _H11    66     1.09468   111.28292   -59.99266
   74    72 S   HC   _H12    67     1.09428   111.08272   177.74536
   75    70 S   OS   _O49    75     1.42892   108.72945   -61.26436
   76    72 S   OS   _O34    68     1.42368   108.91390    58.86953
   77    75 S   CO4  _C15    76     1.36483   115.53251   149.99120
   78    77 S   O    _O50    77     1.22347   126.32567     0.00000
   79    76 S   CO4  _C5_    69     1.36718   115.71363  -179.98022
   80    79 S   O    _O33    70     1.22317   126.11866    -0.06256
   81    77 S   CT   _C16    78     1.49814   109.59317   179.92867
   82    81 S   HC   _H19    79     1.09305   109.87101   -90.00054
   83    81 S   HC   _H20    80     1.09312   109.82380   148.12998
   84    81 S   HC   _H21    81     1.09339   109.36948    29.13326
   85    79 S   CT   _C4_    71     1.49879   109.79166   179.96044
   86    85 S   HC   _H8_    72     1.09234   109.79272   -90.02416
   87    85 S   HC   _H9_    73     1.09324   109.77807   148.06652
   88    85 S   HC   _H10    74     1.09333   109.37300    29.08621
  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
  16   8   2   1   1  17   7  13   7   7  15   7   3   1   3   2
   1   1   9   6   7   8   3   2   1   7   3   2   4   7   3   2
   1   1  10   5   4  10   6   8   4   3   7   6   5   4   5   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    54    55    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    51    52    54    55    61    63    56    45    42    47  
   38    39    40    51    54    55    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    51    54    55    61    53    45    46    42    47    48    49    50  
   40    41    43    54    45    42    47  
   41    43    44    51    52    54    56    53    58    45    46    42    47  
   43    44    51    53    45    46    42  
   47    48    49    50    43    45    54  
   44    51    52    54    55    61    56    57    53    58    59    60    62    45    46  
   51    52    54    56    53    58    45  
   46    51    53  
    0  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    61    63    56    57    53    58  
   54    55    61    56    57    53  
   58    59    60    62    67    54    56  
   55    61    63    64    65    66    56    57  
   61    63    56  
   57    61  
    0  
   59    60    62    67    68    69    70  
   60    62    67  
   62    67  
   63    64    65    66  
   67    68    69    70    71    72    75  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    76    75    77  
   69    70    71    72    75  
   70    71    72    75  
   71    72    73    74    76    79    75    77    78    81  
   72    73    74    76    75    77  
   73    74    76    79    80    85    75    77  
   74    76    79    75  
   76    79    75  
   77    78    81    82    83    84    76  
   79    80    85    86    87    88  
   78    81    82    83    84  
   81    82    83    84  
   80    85    86    87    88  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   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   0.107500   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.7400   0.2000   1.760000   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  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   62   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   3.5000   0.0660   0.080000   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    51   268.000  1.529
   43    53   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    56   320.000  1.410
   54    55   340.000  1.090
   54    61   320.000  1.410
   61    63   230.000  1.630
   63    64   525.000  1.516
   63    65   525.000  1.516
   63    66   525.000  1.516
   56    57   553.000  0.945
   53    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    62   230.000  1.697
   62    67   320.000  1.410
   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   268.000  1.529
   70    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   320.000  1.410
   76    79   214.000  1.327
   79    80   570.000  1.229
   79    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   75    77   214.000  1.327
   77    78   570.000  1.229
   77    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   45    46   553.000  0.945
   42    47   230.000  1.630
   47    48   525.000  1.516
   47    49   525.000  1.516
   47    50   525.000  1.516
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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    51    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    51    58.35000  112.70000
   40    43    53    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    56    50.00000  109.50000
   43    53    58   100.00000  120.50000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    61    50.00000  109.50000
   51    56    57    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    61    63    80.00000  112.68000
   61    54    55    35.00000  109.50000
   61    63    64   100.00000  107.00000
   61    63    65   100.00000  107.00000
   61    63    66   100.00000  107.00000
   65    63    64   140.00000  114.00000
   66    63    64   140.00000  114.00000
   66    63    65   140.00000  114.00000
   56    51    52    35.00000  109.50000
   56    51    54    50.00000  109.50000
   53    43    44    35.00000  109.50000
   53    43    51    50.00000  109.50000
   53    58    59   100.00000  108.23000
   53    58    60   100.00000  108.23000
   53    58    62    45.00000  102.60000
   58    62    67   100.00000  120.50000
   60    58    59   140.00000  119.90000
   62    58    59   100.00000  108.23000
   62    58    60   100.00000  108.23000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    50.00000  109.50000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    75    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    76    50.00000  109.50000
   70    75    77    83.00000  116.90000
   72    70    71    37.50000  110.70000
   72    76    79    83.00000  116.90000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   76    79    80    83.00000  123.40000
   76    79    85    81.00000  111.40000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   85    79    80    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    50.00000  109.50000
   75    77    78    83.00000  123.40000
   75    77    81    81.00000  111.40000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   81    77    78    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  107.00000
   42    47    49   100.00000  107.00000
   42    47    50   100.00000  107.00000
   49    47    48   140.00000  114.00000
   50    47    48   140.00000  114.00000
   50    47    49   140.00000  114.00000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    54    51   0.44750  1.0 1.0
   29    33    54    51  -0.17800 -1.0 2.0
   29    33    54    51   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    61   0.56750  1.0 1.0
   29    33    54    61  -0.07550 -1.0 2.0
   29    33    54    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    54    61    63  -2.65550  1.0 1.0
   33    54    61    63  -0.22350 -1.0 2.0
   33    54    61    63   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    51   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    61   0.23400  1.0 3.0
   38    33    54    51   0.56750  1.0 1.0
   38    33    54    51  -0.07550 -1.0 2.0
   38    33    54    51   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    61   0.62750  1.0 1.0
   38    33    54    61  -0.30950 -1.0 2.0
   38    33    54    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.56750  1.0 1.0
   38    40   -43    51  -0.07550 -1.0 2.0
   38    40   -43    51   0.20000  1.0 3.0
   38    40    43    53   0.62750  1.0 1.0
   38    40    43    53  -0.30950 -1.0 2.0
   38    40    43    53   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    54   0.56750  1.0 1.0
   40    43    51    54  -0.07550 -1.0 2.0
   40    43    51    54   0.20000  1.0 3.0
   40    43    51    56   0.86500  1.0 1.0
   40    43    51    56  -0.17500 -1.0 2.0
   40    43    51    56   0.20800  1.0 3.0
   40    43    53    58  -2.65550  1.0 1.0
   40    43    53    58  -0.22350 -1.0 2.0
   40    43    53    58   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    51   -54    33   0.56750  1.0 1.0
   43    51   -54    33  -0.07550 -1.0 2.0
   43    51   -54    33   0.20000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    61   0.62750  1.0 1.0
   43    51    54    61  -0.30950 -1.0 2.0
   43    51    54    61   0.27300  1.0 3.0
   43    51    56    57  -0.11600  1.0 1.0
   43    51    56    57  -0.09450 -1.0 2.0
   43    51    56    57   0.21250  1.0 3.0
   43    53    58    59   0.00000  1.0 1.0
   43    53    58    60   0.00000  1.0 1.0
   43    53    58    62   0.05050  1.0 1.0
   43    53    58    62  -1.30700 -1.0 2.0
   43    53    58    62   0.91550  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    56   0.23400  1.0 3.0
   44    43    53    58   0.03000  1.0 3.0
   51    43    53    58  -2.65550  1.0 1.0
   51    43    53    58  -0.22350 -1.0 2.0
   51    43    53    58   0.24150  1.0 3.0
   51    54    61    63  -2.65550  1.0 1.0
   51    54    61    63  -0.22350 -1.0 2.0
   51    54    61    63   0.24150  1.0 3.0
   52    51    54    33   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    61   0.23400  1.0 3.0
   52    51    56    57   0.19450  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    51    56    57  -0.11600  1.0 1.0
   54    51    56    57  -0.09450 -1.0 2.0
   54    51    56    57   0.21250  1.0 3.0
   54    61    63    64   0.00000  1.0 1.0
   54    61    63    65   0.00000  1.0 1.0
   54    61    63    66   0.00000  1.0 1.0
   55    54    61    63   0.03000  1.0 3.0
   56    51    54    33   0.86500  1.0 1.0
   56    51    54    33  -0.17500 -1.0 2.0
   56    51    54    33   0.20800  1.0 3.0
   56    51    54    55   0.23400  1.0 3.0
   56    51    54    61   3.69350  1.0 1.0
   56    51    54    61  -1.82950 -1.0 2.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    54   0.62750  1.0 1.0
   53    43    51    54  -0.30950 -1.0 2.0
   53    43    51    54   0.27300  1.0 3.0
   53    43    51    56   3.69350  1.0 1.0
   53    43    51    56  -1.82950 -1.0 2.0
   53    58    62    67   0.05050  1.0 1.0
   53    58    62    67  -1.30700 -1.0 2.0
   53    58    62    67   0.91550  1.0 3.0
   58    62    67    68   0.03000  1.0 3.0
   58    62    67    69   0.03000  1.0 3.0
   58    62    67    70  -2.65550  1.0 1.0
   58    62    67    70  -0.22350 -1.0 2.0
   58    62    67    70   0.24150  1.0 3.0
   59    58    62    67   0.00000  1.0 1.0
   60    58    62    67   0.00000  1.0 1.0
   62    67    70    71   0.23400  1.0 3.0
   62    67    70    72   0.62750  1.0 1.0
   62    67    70    72  -0.30950 -1.0 2.0
   62    67    70    72   0.27300  1.0 3.0
   62    67    70    75   1.11900  1.0 1.0
   62    67    70    75  -1.16350 -1.0 2.0
   62    67    70    75  -0.34150  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    76   0.62750  1.0 1.0
   67    70    72    76  -0.30950 -1.0 2.0
   67    70    72    76   0.27300  1.0 3.0
   67    70    75    77  -0.25900  1.0 1.0
   67    70    75    77  -0.47000 -1.0 2.0
   67    70    75    77   0.11750  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    75   0.23400  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    75   0.23400  1.0 3.0
   70    72    76    79  -0.25900  1.0 1.0
   70    72    76    79  -0.47000 -1.0 2.0
   70    72    76    79   0.11750  1.0 3.0
   70    75    77    78   3.00000 -1.0 2.0
   70    75    77    81   1.63150  1.0 1.0
   70    75    77    81   2.92000 -1.0 2.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    76   0.23400  1.0 3.0
   71    70    75    77   0.08050  1.0 3.0
   72    70    75    77  -0.25900  1.0 1.0
   72    70    75    77  -0.47000 -1.0 2.0
   72    70    75    77   0.11750  1.0 3.0
   72    76    79    80   3.00000 -1.0 2.0
   72    76    79    85   1.63150  1.0 1.0
   72    76    79    85   2.92000 -1.0 2.0
   73    72    76    79   0.08050  1.0 3.0
   74    72    76    79   0.08050  1.0 3.0
   76    79    85    86   0.00000  1.0 1.0
   76    79    85    87   0.00000  1.0 1.0
   76    79    85    88   0.00000  1.0 1.0
   80    79    85    86   0.00000  1.0 1.0
   80    79    85    87   0.00000  1.0 1.0
   80    79    85    88   0.00000  1.0 1.0
   75    70    72    73   0.23400  1.0 3.0
   75    70    72    74   0.23400  1.0 3.0
   75    70    72    76   1.11900  1.0 1.0
   75    70    72    76  -1.16350 -1.0 2.0
   75    70    72    76  -0.34150  1.0 3.0
   75    77    81    82   0.00000  1.0 1.0
   75    77    81    83   0.00000  1.0 1.0
   75    77    81    84   0.00000  1.0 1.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    51   0.86500  1.0 1.0
   45    40    43    51  -0.17500 -1.0 2.0
   45    40    43    51   0.20800  1.0 3.0
   45    40    43    53   3.69350  1.0 1.0
   45    40    43    53  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
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
   76    85    79    80  10.50000 -1.0 2.0
   75    81    77    78  10.50000 -1.0 2.0
END
